| CAS Number | 1158326-68-1 |
| Catalog Number | AG019TL3(AGN-PC-0WBTJ8) |
| Chemical Name | 2-cyclohexyl-1H-1,3-benzodiazol-5-amine dihydrochloride |
| IUPAC Name | 2-cyclohexyl-3H-benzimidazol-5-amine;dihydrochloride |
| InChI | InChI=1S/C13H17N3.2ClH/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9;;/h6-9H,1-5,14H2,(H,15,16);2*1H |
| InChI Key | OYXPINBAQOCLKI-UHFFFAOYSA-N |
| MDL Number | MFCD00771670 |
| Molecular Formula | C13H19Cl2N3 |
| Molecular Weight | 288.2161 |
| SMILES | Cl.Cl.NC1=CC2=C(NC(C3CCCCC3)=N2)C=C1 |
| Synonyms | 1158326-68-1,
2-Cyclohexyl-1H-benzoimidazol-5-ylaminedihydrochloride,
2-cyclohexyl-1h-benzoimidazol-5-ylamine dihydrochloride,
2-cyclohexyl-1H-1,3-benzodiazol-5-amine dihydrochloride,
2-Cyclohexyl-1H-benzo[d]imidazol-5-amine dihydrochloride,
2-Cyclohexyl-1H-benzoimidazol-5-ylamine di hydrochloride,
CTK7D8507,
CTK8F4225,
AKOS015845052,
MCULE-8675161700,
TR-040904,
Z-2114,
SR-01000316330,
SR-01000316330-1,
Z1318356933,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.216g/mol |
| Monoisotopic Mass | 287.096g/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