Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 0.5 |
|---|
| Pubchem Sid | 488187602 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187602 |
| Sorrisi canonici | CC(C)CC(C(C(=O)NO)O)C(=O)NC(C(=O)NC)C(C)(C)C |
| IUPAC Name | (2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide |
| InChIKey | OCSMOTCMPXTDND-OUAUKWLOSA-N |
| INCHI | 1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1 |
| Isomeri SMILES | CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C |
| Peso molecolare | 331.41 |
| Reaxy-Rn | 24715440 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24715440&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Classe | Organooxygen compounds |
| Subclass | Alcohols and polyols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Secondary alcohols |
| Alternative Parents | Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Secondary alcohol - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). |
| External Descriptors | tricarboxylic acid triamide |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Data | Oggetto |
|---|---|---|---|
| Certificate of Analysis | Mar 13, 2023 | M302985 | |
| Certificate of Analysis | Mar 13, 2023 | M302985 | |
| Certificate of Analysis | Mar 13, 2023 | M302985 | |
| Certificate of Analysis | Mar 13, 2023 | M302985 | |
| Certificate of Analysis | Mar 13, 2023 | M302985 | |
| Certificate of Analysis | Mar 13, 2023 | M302985 | |
| Certificate of Analysis | Mar 13, 2023 | M302985 | |
| Certificate of Analysis | Mar 13, 2023 | M302985 | |
| Certificate of Analysis | Mar 13, 2023 | M302985 | |
| Certificate of Analysis | Mar 13, 2023 | M302985 | |
| Certificate of Analysis | Mar 13, 2023 | M302985 | |
| Certificate of Analysis | Mar 13, 2023 | M302985 | |
| Certificate of Analysis | Mar 13, 2023 | M302985 |
| Solubilità | DMSO: ≥20 mg/mL |
|---|---|
| Punto di fusione (°C) | 148°C |
| Peso molecolare | 331.410 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 331.211 Da |
| Monoisotopic Mass | 331.211 Da |
| Topological Polar Surface Area | 128.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 431.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 | 1 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →