| CAS Number | 155242-92-5 |
| Catalog Number | AG00AQIS(AGN-PC-0WA4AJ) |
| Chemical Name | 1-Benzyl-1,3-benzodiazol-4-amine |
| IUPAC Name | 1-benzylbenzimidazol-4-amine |
| InChI | InChI=1S/C14H13N3/c15-12-7-4-8-13-14(12)16-10-17(13)9-11-5-2-1-3-6-11/h1-8,10H,9,15H2 |
| InChI Key | CCLYBXATLKLSKT-UHFFFAOYSA-N |
| MDL Number | MFCD22689099 |
| Molecular Formula | C14H13N3 |
| Molecular Weight | 223.2731 |
| SMILES | Nc1cccc2c1ncn2Cc1ccccc1 |
| Synonyms | 1-Benzyl-1,3-benzodiazol-4-amine,
155242-92-5,
SCHEMBL3788877,
ZINC95217990,
V3516,
C14H13N3,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.279g/mol |
| Monoisotopic Mass | 223.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number