| CAS Number | 1052542-53-6 |
| Catalog Number | AG008TPU |
| Chemical Name | N-(2-chloro-6-fluorobenzyl)-N-(2,3-dimethylcyclohexyl)amine hydrochloride |
| IUPAC Name | N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine;hydrochloride |
| InChI | InChI=1S/C15H21ClFN.ClH/c1-10-5-3-8-15(11(10)2)18-9-12-13(16)6-4-7-14(12)17;/h4,6-7,10-11,15,18H,3,5,8-9H2,1-2H3;1H |
| InChI Key | VUKJHCHDOHTDHC-UHFFFAOYSA-N |
| MDL Number | MFCD07701106 |
| Molecular Formula | C15H22Cl2FN |
| Molecular Weight | 306.2463 |
| SMILES | CC1C(C)C(NCC2=C(F)C=CC=C2Cl)CCC1.[H]Cl |
| Synonyms | N-(2-chloro-6-fluorobenzyl)-N-(2,3-dimethylcyclohexyl)amine hydrochloride,
1052542-53-6,
N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dimethylcyclohexan-1-amine hydrochloride,
AC1Q39KP,
CTK6B3532,
AKOS027427054,
MCULE-6114714817,
NE13700,
EN300-11752,
J-522890,
Z57981003,
N-(2-Chloro-6-fluorobenzyl)-2,3-dimethylcyclohexanamine hydrochloride,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 306.246g/mol |
| Monoisotopic Mass | 305.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number