| CAS Number | 54014-00-5 |
| Catalog Number | AG01A37Q(AGN-PC-0WOEHQ) |
| Chemical Name | N-(2-cyanoethyl)-N-methylformamide |
| IUPAC Name | N-(2-cyanoethyl)-N-methylformamide |
| InChI | InChI=1S/C5H8N2O/c1-7(5-8)4-2-3-6/h5H,2,4H2,1H3 |
| InChI Key | GNIARTJEBSBYFL-UHFFFAOYSA-N |
| MDL Number | MFCD21121115 |
| Molecular Formula | C5H8N2O |
| Molecular Weight | 112.1298 |
| SMILES | CN(C=O)CCC#N |
| Synonyms | N-(2-cyanoethyl)-N-methylformamide,
54014-00-5,
SCHEMBL211291,
ZINC84889052,
AKOS014323738,
Z2037257358,
|
| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.132g/mol |
| Monoisotopic Mass | 112.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number