| CAS Number | 76061-15-9 |
| Catalog Number | AG019RZM |
| Chemical Name | N-[(pyridin-3-yl)methyl]-1H-1,3-benzodiazol-2-amine |
| IUPAC Name | N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine |
| InChI | InChI=1S/C13H12N4/c1-2-6-12-11(5-1)16-13(17-12)15-9-10-4-3-7-14-8-10/h1-8H,9H2,(H2,15,16,17) |
| InChI Key | MBHCMZWEOUBOFS-UHFFFAOYSA-N |
| MDL Number | MFCD09259153 |
| Molecular Formula | C13H12N4 |
| Molecular Weight | 224.2612 |
| SMILES | C(C1=CN=CC=C1)NC1NC2=C(C=CC=C2)N=1 |
| Synonyms | N-(pyridin-3-ylmethyl)-1H-1,3-benzodiazol-2-amine,
76061-15-9,
SBB082740,
STK399196,
ZINC20153768,
AKOS002676392,
MCULE-3964088401,
NE32867,
benzimidazol-2-yl(3-pyridylmethyl)amine,
EN300-91239,
N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine,
Z57299619,
N-[(pyridin-3-yl)methyl]-1H-1,3-benzodiazol-2-amine,
N-(1H-1,3-benzimidazol-2-yl)-N-(3-pyridylmethyl)amine,
C13H12N4,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.267g/mol |
| Monoisotopic Mass | 224.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number