| CAS Number | 268222-23-7 |
| Catalog Number | AG019W38(AGN-PC-0WO4GY) |
| Chemical Name | 2-Cyano-N-(prop-2-yn-1-yl)acetamide |
| IUPAC Name | 2-cyano-N-prop-2-ynylacetamide |
| InChI | InChI=1S/C6H6N2O/c1-2-5-8-6(9)3-4-7/h1H,3,5H2,(H,8,9) |
| InChI Key | UWMHFSKISKQAEA-UHFFFAOYSA-N |
| MDL Number | MFCD09930675 |
| Molecular Formula | C6H6N2O |
| Molecular Weight | 122.1246 |
| SMILES | O=C(NCC#C)CC#N |
| Synonyms | 2-cyano-N-(prop-2-yn-1-yl)acetamide,
268222-23-7,
Acetamide, 2-cyano-N-2-propyn-1-yl-,
N-propargylcyanoacetamide,
AC1Q5GTG,
N-Propargyl-2-cyanoacetamide,
SCHEMBL1417712,
CTK5J0788,
2-cyano-n-prop-2-ynyl-acetamide,
2-Cyano-N-prop-2-inyl-acetamide,
UWMHFSKISKQAEA-UHFFFAOYSA-N,
ZINC19430382,
AKOS000171963,
MCULE-1686926882,
NE47079,
EN300-50338,
AB01002665-01,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 122.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 122.127g/mol |
| Monoisotopic Mass | 122.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number