| CAS Number | 1368731-77-4 |
| Catalog Number | AG01C3U0 |
| Chemical Name | 3-[(1H-1,3-benzodiazol-2-yl)methyl]aniline |
| IUPAC Name | 3-(1H-benzimidazol-2-ylmethyl)aniline |
| InChI | InChI=1S/C14H13N3/c15-11-5-3-4-10(8-11)9-14-16-12-6-1-2-7-13(12)17-14/h1-8H,9,15H2,(H,16,17) |
| InChI Key | YCICADUXPJHXGT-UHFFFAOYSA-N |
| MDL Number | MFCD20794936 |
| Molecular Formula | C14H13N3 |
| Molecular Weight | 223.2731 |
| SMILES | NC1=CC(CC2NC3=C(C=CC=C3)N=2)=CC=C1 |
| Synonyms | 3-[(1H-1,3-benzodiazol-2-yl)methyl]aniline,
1368731-77-4,
ZINC82545044,
AKOS014681992,
3-(1H-1,3-benzodiazol-2-ylmethyl)aniline,
Z2372278792,
|
| Complexity | 256 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.279g/mol |
| Monoisotopic Mass | 223.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number