| CAS Number | 1354963-37-3 |
| Catalog Number | AG019RYX |
| Chemical Name | 1-(4-methylphenyl)-1H-1,3-benzodiazol-2-amine hydrochloride |
| IUPAC Name | 1-(4-methylphenyl)benzimidazol-2-amine;hydrochloride |
| InChI | InChI=1S/C14H13N3.ClH/c1-10-6-8-11(9-7-10)17-13-5-3-2-4-12(13)16-14(17)15;/h2-9H,1H3,(H2,15,16);1H |
| InChI Key | UECWOEWHUYZJDP-UHFFFAOYSA-N |
| MDL Number | MFCD20441714 |
| Molecular Formula | C14H14ClN3 |
| Molecular Weight | 259.7341 |
| SMILES | Cl.CC1=CC=C(N2C3=C(C=CC=C3)N=C2N)C=C1 |
| Synonyms | 1-(4-methylphenyl)-1H-1,3-benzodiazol-2-amine hydrochloride,
1354963-37-3,
MCULE-4952926205,
NE48227,
EN300-91158,
Z1262691662,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.737g/mol |
| Monoisotopic Mass | 259.088g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number