| CAS Number | 1184272-17-0 |
| Catalog Number | AG019VPR(AGN-PC-0WO1QA) |
| Chemical Name | 2-Chloro-N-(2-cyano-2-methylethyl)-N-ethylacetamide |
| IUPAC Name | 2-chloro-N-(2-cyanopropyl)-N-ethylacetamide |
| InChI | InChI=1S/C8H13ClN2O/c1-3-11(8(12)4-9)6-7(2)5-10/h7H,3-4,6H2,1-2H3 |
| InChI Key | TVVPJGXZGOPTSI-UHFFFAOYSA-N |
| MDL Number | MFCD12798924 |
| Molecular Formula | C8H13ClN2O |
| Molecular Weight | 188.6546 |
| SMILES | CCN(C(CCl)=O)CC(C#N)C |
| Synonyms | 2-chloro-N-(2-cyano-2-methylethyl)-N-ethylacetamide,
1184272-17-0,
AKOS010025507,
NE36232,
EN300-48001,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.655g/mol |
| Monoisotopic Mass | 188.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number