| CAS Number | 1042640-89-0 |
| Catalog Number | AG019TWO |
| Chemical Name | 2-(Cyclohexylmethyl)-1H-1,3-benzodiazol-5-amine |
| IUPAC Name | 2-(cyclohexylmethyl)-3H-benzimidazol-5-amine |
| InChI | InChI=1S/C14H19N3/c15-11-6-7-12-13(9-11)17-14(16-12)8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8,15H2,(H,16,17) |
| InChI Key | HWBUOIIGNQYWEA-UHFFFAOYSA-N |
| MDL Number | MFCD11170499 |
| Molecular Formula | C14H19N3 |
| Molecular Weight | 229.3208 |
| SMILES | NC1=CC2=C(NC(=N2)CC2CCCCC2)C=C1 |
| Synonyms | 2-(cyclohexylmethyl)-1H-1,3-benzodiazol-5-amine,
1042640-89-0,
SCHEMBL8809271,
ZINC20252609,
AKOS009216304,
MCULE-7739608469,
NE45272,
Z1333761718,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.327g/mol |
| Monoisotopic Mass | 229.158g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number