Ammonium-d₄ acetate - ≥98 atom% D

Cat. No.: A472073
Disponibile su ordine
GRADE & PURITY ≥98 atom% D
Storage
Room temperature
★
Size
Germania (EU)
USA*
Price
Qty
10g
A472073-10g
Su ordinazione · 8–12 settimane

1.745,80€

2.037,36€
Salva 291,56 € (14.31%)
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Why this grade

≥98 atom% D for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Specifiche e purezza
≥98 atom% D
Condizioni di conservazione di stoccaggio
Room temperature
Purezza
≥98 atom% D

Documentazione

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

Application Protocols

Item-specific tested applications and dilutions: Not specified for this item; refer to CoA/Spec Sheet.

General protocols (literature; adapt to your system)

  • LC-MS mobile phase preparation (example):
    1. Weigh ammonium-d₄ acetate to target 10 mM in final volume. 2) Dissolve in 90:10 water:MeOH (or water:MeCN). 3) Adjust pH to 5.5 with glacial acetic acid (or ND₃ for isotopic consistency). 4) Filter through 0.2 µm PTFE/nylon. 5) Degas by sonication or sparging. Use within 24–72 h; store cold if needed.
  • HILIC method development (starting point):
    • Mobile phase A: 10 mM ammonium-d₄ acetate in water (pH 5.0). Mobile phase B: acetonitrile. Begin at 90% B, gradient to 60% B over 10–15 min; 30–40 °C column temperature.
  • Sample cleanup via volatile buffer exchange:
    1. Add ammonium-d₄ acetate solution to sample to desired ionic strength. 2) Perform desalting (e.g., SPE). 3) Evaporate to dryness under reduced pressure at ≤40 °C to remove volatile salts.

Isotopic care

  • Use deuterated solvents (D₂O/MeOD/CD₃CN) if maintaining ND₄⁺ deuteration in solution is necessary. Minimize open-vessel handling to reduce H/D exchange with atmospheric moisture.
Biological Roles

Scope

  • The product is a deuterated laboratory reagent. The following refers to general biochemical context of the undeuterated ions; no medical or clinical claims are made.

General biochemistry (literature)

  • Ammonium (NH₄⁺/ND₄⁺): A conjugate acid of ammonia; participates in acid–base balance in aqueous systems. In biological systems, ammonium is produced by amino acid deamination and is assimilated into nitrogen-containing biomolecules (e.g., via glutamine synthetase), though free ammonium is tightly regulated due to toxicity at elevated levels.
  • Acetate (CH₃COO⁻): Conjugate base of acetic acid; can enter central metabolism by conversion to acetyl-CoA via acetyl-CoA synthetase in organisms capable of utilizing acetate.

Isotopic aspects

  • Deuterated ammonium (ND₄⁺): The N–D bonds are exchangeable in aqueous/protic environments and will rapidly equilibrate with solvent hydrons. Consequently, persistent incorporation of deuterium from ND₄⁺ into non-exchangeable positions of biomolecules is not expected without specific catalytic conditions. Nonetheless, ND₄⁺ can be a convenient label in method validation, recovery studies, and mass spectral deconvolution for analytes influenced by buffer composition.

Laboratory use

  • Common in proteomics/metabolomics sample preparation as a volatile buffer compatible with MS detection; the deuterated variant aids in tracing buffer-derived adducts and in correcting for matrix effects through internal standardization.
Buffer Applications

Relevance

  • Highly applicable: ammonium-d₄ acetate functions as a volatile buffering salt for aqueous and mixed aqueous–organic systems, particularly in LC-MS.

Practical guidance (literature)

  • Typical concentration: 2–50 mM for LC-MS; up to ~100 mM for stronger buffering if sensitivity permits.
  • pH range: Effective acetate buffering near pH 4.5–6.5 when paired with acetic acid/acetate. For more acidic conditions, consider ammonium formate/formic acid.
  • Solvent systems: Water/MeOH or water/MeCN. For preserving deuteration, use deuterated solvents (D₂O, MeOD, CD₃CN) or minimize water content and exposure time.
  • Preparation: Dissolve the weighed salt in solvent, adjust pH with acetic acid or ammonia/ND₃ (for isotopic consistency). Filter (0.2 µm) and degas. Prepare fresh or store cold to mitigate microbial growth and H/D back-exchange.
  • Volatility benefits: Facilitates lyophilization and MS interfacing with minimal nonvolatile residue compared to phosphate or sulfate buffers.

Notes on isotopic integrity

  • The ND₄⁺ deuterons are exchangeable; using H₂O or protic organics will rapidly reduce D content in solution. If isotopic labeling is critical (e.g., to suppress protium adducts), prepare mobile phases with deuterated solvents and minimize contact with ambient moisture.

Item-specific

  • Exact specifications (buffer-grade, UV cutoff, metal limits) are not specified for this item; refer to CoA/Spec Sheet.
Green Alternatives

Context

  • Ammonium acetate is already among the greener, volatile buffering salts suitable for LC-MS, minimizing persistent residues relative to nonvolatile salts (e.g., phosphates, sulfonates). The d₄ variant shares this profile, with the added consideration of isotopic resources.

Options and trade-offs (literature)

  • Ammonium formate: Comparable volatility; can provide cleaner MS baselines in some cases. Slightly different buffering range (formic acid pKa 3.75). May improve negative-mode ESI. Trade-off: different selectivity vs acetate.
  • Acetic acid only: Lowest additive mass and simpler waste stream. Trade-off: diminished buffering capacity and peak shape control; greater pH drift.
  • Carbonates/bicarbonates: Useful in specific negative-mode methods; less MS-friendly (adducts) and can outgas CO₂.

Sustainability considerations

  • Lower additive concentration: Validate the minimum effective ammonium-d₄ acetate concentration (often 2–10 mM) to reduce chemical consumption and isotopic material use.
  • Mobile phase choice: Favor water/MeOH over water/MeCN when performance allows—MeOH is generally considered a greener organic solvent.
  • Waste minimization: Volatile buffers facilitate solvent recycling by distillation; confirm that isotope labeling does not impede your facility’s recycling program.

Comparison snapshot (literature)

  • Volatility: Ammonium acetate ≈ ammonium formate » phosphate buffers.
  • MS background: Formate ≤ acetate « phosphate.
  • pH range: Acetate (best near pH 4.5–6.5) vs formate (best near pH 3–5).
  • Selectivity: Analyte-dependent; small but meaningful differences—evaluate during method development.
Pharmaceutical Uses

Scope and limitations

  • No therapeutic claims. The deuterated salt is intended for research and analytical applications.

Analytical and manufacturing contexts (literature)

  • LC-MS supportive excipient (analytical): Ammonium acetate is a standard volatile additive in bioanalytical and pharmaceutical method development for small molecules, peptides, and oligonucleotides. The d₄ variant can function as an internal standard for method robustness checks or to probe adduct formation/suppression tied to buffer composition.
  • Lyophilization/volatile counterion: In process development, volatile salts facilitate removal after purification, minimizing residual in drug substance relative to nonvolatile buffers. While routine use of deuterated salts in manufacturing is uncommon, they may be used in development studies.
  • Regulatory status: Any pharmacopeial monographs apply to the protiated compound (ammonium acetate). Deuterated ammonium acetate generally lacks pharmacopeial monographs; use is typically confined to research-grade analytical workflows.

Practical considerations

  • Choose LC-MS or analytical grades to avoid background ions and metal contaminants that can affect sensitivity.
  • Document isotopic enrichment and stability over storage/usage if the deuterated label is functionally important to your method.

Item-specific

  • Grade/purity and compliance statements are not specified for this item; consult the CoA/Spec Sheet for suitability in regulated environments.
Physical Properties

Item-specific (from Product Data)

  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.

Literature/computed (for the undeuterated salt unless noted; deuteration has negligible impact on bulk physical constants, except formula mass)

  • Molecular weight: ~81.11 g/mol for C₂H₃D₄NO₂ (calculated, literature)
  • Physical state: Crystalline solid (literature for ammonium acetate)
  • Melting/thermal behavior: ~113–114 °C with decomposition (literature, ammonium acetate). The deuterated analogue is expected to show a similar decomposition onset.
  • Solubility: Highly soluble in water; soluble in methanol and ethanol; miscible with water–acetonitrile mobile phases at typical LC-MS concentrations (≤100 mM) (literature). Limited solubility in nonpolar solvents.
  • Volatility: Considered a volatile salt upon thermal treatment, leaving minimal non-volatile residue—basis for widespread LC-MS use (literature).
  • pH behavior: Aqueous solutions act as a weak buffer around the acetic acid pKa (~4.76) and the ammonium pKa (~9.25); practical buffering range commonly pH ~4.5–6.5 for LC-MS when paired with acetic acid (literature).
  • Hygroscopicity: Ammonium acetate is hygroscopic; expects similar behavior for the deuterated salt (literature). Handle swiftly in ambient air to limit moisture uptake and H/D exchange.
  • LogP, refractive index, density: Not typically defined for ionic solids; not applicable.

Notes

  • Exact numerical specifications (mp, water content, metal traces, UV cutoff, etc.) are not specified for this item; refer to CoA/Spec Sheet.
Quality and Grades

Item-specific (from Product Data)

  • Grade/purity: Not specified for this item; refer to CoA/Spec Sheet.
  • Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet.

Guidance for this compound class (literature and best practice)

  • Isotopic enrichment: For deuterated salts, the %D incorporation at the ammonium positions (nominally ND₄⁺) is critical. Typical offerings specify ≥98 atom % D at the ammonium hydrogens. Because deuterons on ND₄⁺ are exchangeable, the reported enrichment often refers to the neat material at packaging. End-user handling in protic media will reduce effective deuteration.
  • Analytical grade for LC-MS: When used as a volatile mobile phase additive, LC-MS or Ultra LC-MS grades indicate extremely low non-volatile residue, low metal content, and very low UV background. If your application is mass spectrometry, request documentation on non-volatile residue and metal ion levels.
  • Water and residual solvent: Hygroscopic salts commonly carry adventitious water. Karl Fischer moisture and loss on drying are typical certificate parameters. For isotope work, water content impacts H/D exchange; verify on the CoA.
  • Trace metals/UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
  • Fit-for-purpose selection: Choose grade according to application—e.g., isotopic tracer studies (high D enrichment), LC-MS (volatile salt, low background), or general synthesis (standard reagent grade). When uncertain, contact technical support with your required impurity thresholds.
Reaction and Applications

Application domains (literature)

  • LC-MS additive: Widely used as a volatile buffer for electrospray ionization, enhancing ionization efficiency and chromatographic peak shape. The d₄ variant can serve as an internal standard to deconvolute matrix effects or monitor H/D exchange.
  • HILIC and RP separations: Supports retention and peak shape for polar analytes in HILIC; moderates silanol activity and tailing in reversed phase at low ionic strength.
  • Isotope tracing: ND₄⁺ provides a deuterium label at exchangeable sites, useful for method validation and mechanistic studies. Note: ND₄⁺ deuterons are labile and will equilibrate with the solvent; use deuterated solvents to retain labeling.
  • Preparative uses: Volatile counterion for intermediate isolation; salt can be removed by co-evaporation, leaving minimal residue compared with nonvolatile buffers (e.g., phosphate).
  • Organic synthesis: Source of acetate under mild conditions; can promote formation of acetamide upon dehydration (e.g., with acetic anhydride or dehydrating agents). Sometimes employed to buffer ammonolysis or transesterification media.

Practical guidance

  • Concentration: 2–50 mM typical in LC-MS; higher concentrations (up to ~100 mM) possible but may suppress ESI signal.
  • pH tuning: Adjust with acetic acid or ammonia/ND₃ (deuterated) to target pH 4.5–6.5 for many separations.
  • Volatility: Facilitates clean sample workup—avoid excessive heating during evaporation to limit acetamide formation.
  • Materials compatibility: Aqueous ammonium acetate can be mildly corrosive to some metals; favor PEEK, PTFE, or stainless steel rated for aqueous buffers.
Reaction Conditions

General guidance (literature; adjust to your system)

  • LC-MS mobile phases: 2–10 mM ammonium-d₄ acetate in water/MeCN or water/MeOH, pH 4.5–6.5 (adjust with acetic acid or ND₃). Higher (20–50 mM) may enhance chromatographic performance but can suppress electrospray response. Column temps 25–40 °C are typical.
  • HILIC separations: Start at 5–20 mM in 70–95% MeCN with water; fine-tune pH ~5.0. Monitor MS background; acetate produces characteristic adducts less than phosphate.
  • Desalting/precipitation: For nucleic acid ethanol precipitation, 0.3 M ammonium acetate is common (protiated literature). The d₄ variant behaves analogously but is rarely used at such scale due to cost—apply only when isotopic control is necessary.
  • Formation of acetamide (dehydrative): Ammonium acetate + acetic anhydride, 0–25 °C to reflux, affords acetamide (literature). Deuteration has minimal effect on conversion; expect ND/H exchange in protic media.

Operational notes

  • Drying/degassing: For MS, prepare fresh solutions daily or store cold and degassed. Use 0.2 µm filters. To preserve deuteration, employ deuterated solvents and minimize air exposure.
  • Materials: Use glass, PEEK, PTFE where practical. Avoid plain steel in high-ionic media unless corrosion-resistant grades are used.

Caveats

  • Exact optimal conditions depend on analyte/method. Validate concentration, pH, and solvent composition empirically. No item-specific specifications (e.g., UV cutoff, metal content) are provided—consult CoA/Spec Sheet if required.
Safety and Handling

Item-specific (from Product Data)

  • GHS classification, signal word, H-statements, pictograms: Not specified for this item; refer to SDS.
  • Storage: Room temperature.

General safety guidance (literature/best practice; defer to SDS for authoritative instructions)

  • Expected hazards: Ammonium acetate salts are generally classified as causing eye/skin/respiratory irritation; avoid dust formation and inhalation. Deuteration does not materially change intrinsic hazards, but ND₄⁺ deuterons are labile and will exchange with protic media—this is a handling consideration rather than a safety hazard.
  • PPE: Use lab coat, safety glasses, and appropriate disposable gloves (e.g., nitrile). Handle powders in a fume hood to minimize dust exposure and moisture uptake.
  • Incompatibilities: Strong oxidizers; strong acids/bases (will shift equilibria and may release ammonia/acetic acid); avoid heating to decomposition (may release irritating vapors). Avoid contact with reactive acylating/dehydrating agents (e.g., SOCl₂, P₂O₅) that can form acetamide or decompose the salt.
  • First aid (overview): Eye/skin contact—rinse with water for ≥15 min; remove contaminated clothing. Inhalation—move to fresh air. Ingestion—rinse mouth; seek medical attention. Always consult the SDS for complete measures.
  • Environmental: Readily water soluble; prevent uncontrolled release to drains in concentrated form.
  • Isotopic integrity: To minimize H/D back-exchange (analyte interference), keep containers tightly closed; use dry tools and anhydrous solvents where appropriate.
Solvent Selection

Compound type considerations

  • Nature: Ionic, highly polar salt; strongly hydrophilic.
  • Polarity/dielectric: Best dissolved in high-dielectric, protic or polar aprotic media.

Solubility and miscibility profile (literature)

  • Water: Freely soluble; ideal for aqueous buffers.
  • Alcohols (MeOH, EtOH): Soluble; commonly used for LC-MS mobile phases (e.g., MeOH/water with ammonium acetate).
  • Acetonitrile: Soluble to typical additive levels (1–100 mM) in water/MeCN blends; widely used in LC-MS.
  • Nonpolar solvents (hexane, toluene): Essentially insoluble.

When to choose ammonium-d₄ acetate

  • LC-MS workflows requiring a volatile buffer/additive while minimizing proton-derived background or enabling isotopic tracing or internal standardization.
  • H/D exchange-aware methods: Use deuterated additive to control or probe exchange processes in protic mobile phases.

Alternatives and comparisons

  • Ammonium acetate (protium): Identical chromatographic function but introduces protium; preferred when isotopic background is irrelevant.
  • Ammonium formate: Slightly lower pH at comparable molarity; sometimes yields improved ESI sensitivity in negative mode.
  • Acetic acid alone: Offers pH control but lacks buffering/ionic strength provided by the ammonium counterion.

Practical tips

  • For LC-MS, 2–50 mM is a common working range (literature). Filter mobile phases (0.2 µm) and prepare fresh to limit microbial growth and H/D drift.
  • To preserve deuteration, minimize exposure to atmospheric moisture; prepare solutions with deuterated solvents or low-water content when needed.
Storage and Reconstitution

Item-specific (from Product Data)

  • Storage conditions: Room temperature.
  • Shipped in: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for this compound class (literature/best practice)

  • Container: Store in a tightly sealed, chemically compatible container (e.g., glass or HDPE) with desiccant to limit moisture uptake and H/D exchange.
  • Protection: Keep dry and protect from prolonged exposure to ambient humidity. Avoid high heat; the salt decomposes upon melting.
  • Shelf life: Stable for extended periods when kept dry at ambient temperature; consult CoA for retest/expiry dating.

Reconstitution and solution stability

  • Solvents: Water, MeOH, and MeCN (and their deuterated analogs) are suitable. For preserving deuteration, favor deuterated solvents (D₂O/MeOD/CD₃CN) and prepare immediately before use.
  • Filtration: 0.2 µm filtration recommended for LC-MS mobile phases.
  • Storage of solutions: Use freshly prepared solutions where possible. If storage is necessary, keep tightly capped at 2–8 °C. Expect gradual H/D exchange in protic solvents; monitor by MS if isotopic integrity is critical.

Notes

  • Exact specifications such as water content limits, residual solvent, or metal impurity thresholds are not specified for this item; refer to the CoA/Spec Sheet and SDS for authoritative information.
Structure and Identity

Item-specific (from Product Data)

  • SKU: A472073
  • Product name: Ammonium-d₄ acetate
  • Storage conditions: Room temperature (per listing)
  • Research use: For research use only

Computed/Literature identity (informational; not item-specific specs)

  • Recommended descriptor: Deuterated ammonium acetate with an ND₄⁺ cation and CH₃COO⁻ anion; all four hydrogens on the ammonium ion are deuterium.
  • Empirical/isotopic formula (literature): C₂H₃D₄NO₂
  • Approx. molecular weight (literature, calculated): ~81.11 g/mol (vs. 77.08 g/mol for non-deuterated)
  • Structural features: Ionic salt composed of a tetra-deuterated ammonium cation [ND₄]⁺ and the acetate anion CH₃–C(=O)O⁻. No stereocenters; no ring systems; contains a carboxylate functional group and a quaternized nitrogen center.
  • 2D description in words: A methylcarboxylate anion electrostatically paired with a fully deuterated ammonium cation; the acetate bears a delocalized negative charge over the two oxygens; the nitrogen carries a positive charge with four N–D bonds.
  • SMILES (literature, representative): [O-]C(=O)C.[2H]N+([2H])[2H]

Not specified for this item; refer to CoA/Spec Sheet

  • CAS, CID, InChIKey
Synthetic Utility

General reactivity (literature)

  • Ionic pair: Provides acetate as a weak nucleophile/base and ammonium as a proton (deuteron) donor/acceptor in protic media.
  • Volatile counterion strategy: In synthesis and purification, using ammonium acetate allows subsequent removal by evaporation/lyophilization, avoiding inorganic residues.
  • Dehydrative acylation to acetamide: In the presence of dehydrating or acylating agents (e.g., acetic anhydride, DCC, P₂O₅), ammonium acetate can yield acetamide; analogous behavior is expected for the d₄ salt, forming acetamide while releasing ND₃/H-D mixtures depending on medium.

Isotopic aspects

  • Labile deuterons: ND₄⁺ serves as a convenient deuteron source for exchange at highly acidic/basic labile sites (e.g., phenolic, enolic, or amide N–H under catalysis). Expect rapid H/D scrambling in protic solvents.

Use cases

  • Catalysis/mediator: Acetate can act as a mild base or ligand in metal-catalyzed couplings, oxidations, and C–H activation (e.g., Pd(OAc)₂ systems), where adding ammonium acetate adjusts medium acidity/ionic strength.
  • Nucleic acid chemistry: Employed during ethanol precipitations and desalting steps as a volatile salt (protiated form common; d₄ variant when isotopic control is desired in MS-based analytics).

Practical notes

  • Choose solvent systems mindful of salt solubility (water, MeOH, MeCN). For isotopic labeling, replace H₂O and protic reagents with deuterated analogs where feasible.
  • Avoid high-temperature drying in the presence of acylating agents to prevent inadvertent acetamide formation.
Target Specificity

Not applicable to this product type.

  • This listing is a small-molecule inorganic/organic salt (ammonium-d₄ acetate), not a biological binding reagent. There is no antigen/epitope, clone, isotype, or species reactivity associated with this item.
  • For application-relevant details, please refer to the sections on Buffer Applications, Solvent Selection, Reaction & Applications, and Synthetic Utility.

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