| CAS Number | 16728-81-7 |
| Catalog Number | AG019WGN(AGN-PC-0NJ87S) |
| Chemical Name | 2-(Propylamino)acetonitrile |
| IUPAC Name | 2-(propylamino)acetonitrile |
| InChI | InChI=1S/C5H10N2/c1-2-4-7-5-3-6/h7H,2,4-5H2,1H3 |
| InChI Key | YOEHYACECVSKEQ-UHFFFAOYSA-N |
| MDL Number | MFCD11057913 |
| Molecular Formula | C5H10N2 |
| Molecular Weight | 98.1463 |
| SMILES | CCCNCC#N |
| Synonyms | 2-(propylamino)acetonitrile,
16728-81-7,
Propylaminoacetonitrile,
propylamino acetonitrile,
AC1Q2Y4U,
CTK6E5413,
MFCD11057913,
ZINC20056537,
AKOS000259181,
MCULE-3452380054,
NE25698,
EN300-51903,
Z235653524,
|
| Complexity | 69.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 98.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 98.149g/mol |
| Monoisotopic Mass | 98.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number