| CAS Number | 18327-35-0 |
| Catalog Number | AG01A3O4(AGN-PC-0NHYNM) |
| Chemical Name | N-(Prop-2-yn-1-yl)propanamide |
| IUPAC Name | N-prop-2-ynylpropanamide |
| InChI | InChI=1S/C6H9NO/c1-3-5-7-6(8)4-2/h1H,4-5H2,2H3,(H,7,8) |
| InChI Key | WQRUWIPOVKUKAI-UHFFFAOYSA-N |
| MDL Number | MFCD14631308 |
| Molecular Formula | C6H9NO |
| Molecular Weight | 111.1418 |
| SMILES | CCC(NCC#C)=O |
| Synonyms | N-(prop-2-yn-1-yl)propanamide,
N-prop-2-ynylpropionamide,
18327-35-0,
N-Propargylpropanamide,
SCHEMBL256677,
ZINC38879429,
AKOS008956418,
MCULE-2258533582,
NE21455,
Z220957516,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.144g/mol |
| Monoisotopic Mass | 111.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number