≥93% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Canonical Smiles | CC(C)(C#N)N(C)C(=O)CCl |
|---|---|
| IUPAC Name | 2-chloro-N-(2-cyanopropan-2-yl)-N-methylacetamide |
| InChIKey | YXMRZCNUPULPAU-UHFFFAOYSA-N |
| INCHI | 1S/C7H11ClN2O/c1-7(2,5-9)10(3)6(11)4-8/h4H2,1-3H3 |
| Isomeric SMILES | CC(C)(C#N)N(C)C(=O)CCl |
| PubChem CID | 45791352 |
| Molecular Weight | 174.62 |
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 acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Carboxylic acid derivatives |
| Intermediate Tree Nodes | Carboxylic acid amides |
| Direct Parent | Tertiary carboxylic acid amides |
| Alternative Parents | Chloroacetamides Tertiary amines Amino acids and derivatives Nitriles Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Chloroacetamide - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Carbonitrile - Nitrile - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Cyanide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alkyl halide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as tertiary carboxylic acid amides. These are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H). |
| External Descriptors | Not available |
| Molecular Weight | 174.630 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 174.056 Da |
| Monoisotopic Mass | 174.056 Da |
| Topological Polar Surface Area | 44.100 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 204.000 |
| 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 | 1 |
