| CAS Number | 39149-45-6 |
| Catalog Number | AG01AIW2 |
| Chemical Name | N-(1-cyanopropyl)benzamide |
| IUPAC Name | N-(1-cyanopropyl)benzamide |
| InChI | InChI=1S/C11H12N2O/c1-2-10(8-12)13-11(14)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3,(H,13,14) |
| InChI Key | UAMIRZPPHTZDMI-UHFFFAOYSA-N |
| MDL Number | MFCD03931328 |
| Molecular Formula | C11H12N2O |
| Molecular Weight | 188.2258 |
| SMILES | CCC(C#N)NC(C1=CC=CC=C1)=O |
| Synonyms | N-(1-cyanopropyl)benzamide,
39149-45-6,
Benzamide, N-(1-cyanopropyl)-,
AC1NCMFV,
SCHEMBL10661664,
AKOS010353111,
MCULE-2637769589,
NE27623,
EN300-79183,
CID4536051,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.23g/mol |
| Monoisotopic Mass | 188.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number