| CAS Number | 3018-68-6 |
| Catalog Number | AG00BWDI(AGN-PC-0KU4VC) |
| Chemical Name | 2-methyl-1-phenyl-1H-1,3-benzodiazol-5-amine |
| IUPAC Name | 2-methyl-1-phenylbenzimidazol-5-amine;hydrochloride |
| InChI | InChI=1S/C14H13N3.ClH/c1-10-16-13-9-11(15)7-8-14(13)17(10)12-5-3-2-4-6-12;/h2-9H,15H2,1H3;1H |
| InChI Key | WBLRTQBJKQTXMV-UHFFFAOYSA-N |
| MDL Number | MFCD08447136 |
| Molecular Formula | C14H13N3 |
| Molecular Weight | 223.2731 |
| SMILES | CC1N(C2=CC=CC=C2)C2=C(C=C(C=C2)N)N=1 |
| Synonyms | 2-methyl-1-phenyl-1H-benzimidazol-5-amine hydrochloride,
3018-68-6,
EN300-09333,
2-methyl-1-phenyl-1h-benzo[d]imidazol-5-amine hydrochloride,
AC1Q39J5,
CTK8F4402,
ACM3018686,
1H-Benzimidazol-5-amine,2-methyl-1-phenyl-,
2-METHYL-1-PHENYL-1H-BENZIMIDAZOL-5-AMINEHYDROCHLORIDE,
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| Complexity | 262 |
| 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 |
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Certificate of Analysis
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