| CAS Number | 60837-27-6 |
| Catalog Number | AG01C0A9 |
| Chemical Name | 4-(1H-1,3-benzodiazol-2-yl)aniline hydrochloride |
| IUPAC Name | 4-(1H-benzimidazol-2-yl)aniline;hydrochloride |
| InChI | InChI=1S/C13H11N3.ClH/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13;/h1-8H,14H2,(H,15,16);1H |
| InChI Key | PRALWBYTELUWMA-UHFFFAOYSA-N |
| MDL Number | MFCD30497897 |
| Molecular Formula | C13H12ClN3 |
| Molecular Weight | 245.7075 |
| SMILES | Cl.NC1=CC=C(C2NC3=C(C=CC=C3)N=2)C=C1 |
| Synonyms | 4-(1H-Benzo[d]imidazol-2-yl)aniline hydrochloride,
4-(1h-benzimidazol-2-yl)benzenamine hydrochloride,
4-(1H-1,3-benzodiazol-2-yl)aniline hydrochloride,
60837-27-6,
N/A,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.71g/mol |
| Monoisotopic Mass | 245.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number