| CAS Number | 4271-93-6 |
| Catalog Number | AG01A2GW(AGN-PC-0WO8H0) |
| Chemical Name | N-(2-cyanoethyl)-N-(propan-2-yl)acetamide |
| IUPAC Name | N-(2-cyanoethyl)-N-propan-2-ylacetamide |
| InChI | InChI=1S/C8H14N2O/c1-7(2)10(8(3)11)6-4-5-9/h7H,4,6H2,1-3H3 |
| InChI Key | HKVGAGYVMVALPD-UHFFFAOYSA-N |
| MDL Number | MFCD16053907 |
| Molecular Formula | C8H14N2O |
| Molecular Weight | 154.2096 |
| SMILES | CC(N(C(C)=O)CCC#N)C |
| Synonyms | N-(2-cyanoethyl)-N-(propan-2-yl)acetamide,
4271-93-6,
ZINC44414994,
AKOS010849620,
MCULE-8489042907,
NE24732,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.213g/mol |
| Monoisotopic Mass | 154.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number