| CAS Number | 921040-13-3 |
| Catalog Number | AG01A2XJ(AGN-PC-00QOPX) |
| Chemical Name | 2-cyclopropyl-1-methyl-1H-1,3-benzodiazol-5-amine |
| IUPAC Name | 2-cyclopropyl-1-methylbenzimidazol-5-amine |
| InChI | InChI=1S/C11H13N3/c1-14-10-5-4-8(12)6-9(10)13-11(14)7-2-3-7/h4-7H,2-3,12H2,1H3 |
| InChI Key | LNTJHRYKXIOPJI-UHFFFAOYSA-N |
| MDL Number | MFCD16769392 |
| Molecular Formula | C11H13N3 |
| Molecular Weight | 187.2410 |
| SMILES | CN1C2=C(C=C(C=C2)N)N=C1C1CC1 |
| Synonyms | 921040-13-3,
1H-Benzimidazol-5-amine, 2-cyclopropyl-1-methyl-,
2-cyclopropyl-1-methyl-1H-1,3-benzodiazol-5-amine,
SCHEMBL3574868,
CTK3G2261,
DTXSID20580551,
ZINC34838571,
AKOS011796970,
MCULE-9733467519,
NE24740,
2-Cyclopropyl-1-methyl-1H-benzimidazol-5-amine,
2-Cyclopropyl-1-methyl-1H-benzo[d]imidazol-5-amine,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.246g/mol |
| Monoisotopic Mass | 187.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number