| CAS Number | 10282-32-3 |
| Catalog Number | AG01C2BW(AGN-PC-0MW270) |
| Chemical Name | 4-(Benzylamino)benzonitrile |
| IUPAC Name | 4-(benzylamino)benzonitrile |
| InChI | InChI=1S/C14H12N2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-9,16H,11H2 |
| InChI Key | QIGBIJOPTRWSPF-UHFFFAOYSA-N |
| MDL Number | MFCD00870625 |
| Molecular Formula | C14H12N2 |
| Molecular Weight | 208.2585 |
| SMILES | N#CC1=CC=C(NCC2=CC=CC=C2)C=C1 |
| Synonyms | 4-(benzylamino)benzonitrile,
10282-32-3,
4-Benzylamino-benzonitrile,
4-Benzylaminobenzonitrile,
N-(4-cyanophenyl)benzylamine,
4-(N-benzyl)aminobenzonitrile,
SCHEMBL510619,
QIGBIJOPTRWSPF-UHFFFAOYSA-N,
ZINC19867483,
AKOS000217891,
CID9942509,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.264g/mol |
| Monoisotopic Mass | 208.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number