Ammonium formate - UltraPureChrom™, for LC-MS, ≥99% , CAS No.540-69-2

CAS: 540-69-2 Cat. No.: A100186 Formula: CH₅NO₂ Molecular Weight: 63.06 Beilstein Registry Number: 3625095 EC Number: 208-753-9

GRADE & PURITY UltraPureChrom™, for LC-MS, ≥99%

Synonyms

HC(O)ONH4 | AMMONIUM FORMATE | ammonium for-mate | ammonium formate- | Ammonium formate-d5 | Ammoniumformiate | Ammonium-formiate | D78097 | 3801F9644E | amonium formate | EINECS 208-753-9 | Q420466 | CH5NO2 | annmonium formate | mono-ammonium formate sal

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

HC(O)ONH4 | AMMONIUM FORMATE | ammonium for-mate | ammonium formate- | Ammonium formate-d5 | Ammoniumformiate | Ammonium-formiate | D78097 | 3801F9644E | amonium formate | EINECS 208-753-9 | Q420466 | CH5NO2 | annmonium formate | mono-ammonium formate sal

Specifications & Purity

UltraPureChrom™, for LC-MS, ≥99%

Storage

Desiccated,Room temperature

Shipped In

Normal

Grade

for LC-MS, UltraPureChrom™

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 508814983
• Canonical Smiles: C(=O)[O-].[NH4+]
• IUPAC Name: azanium;formate
• InChIKey: VZTDIZULWFCMLS-UHFFFAOYSA-N
• INCHI: 1S/CH2O2.H3N/c2-1-3;/h1H,(H,2,3);1H3
• Isomeric SMILES: C(=O)[O-].[NH4+]
• WGK Germany: 1
• Molecular Weight: 63.06
• Beilstein: 3625095
• Reaxy-Rn: 3625095
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3625095&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• External Descriptors: ammonium salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Melt Point(°C): 116°C
• Molecular Weight: 63.056 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 63.032 Da
• Monoisotopic Mass: 63.032 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 7.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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