| CAS Number | 1315367-47-5 |
| Catalog Number | AG01AJDV(AGN-PC-0WOY2H) |
| Chemical Name | 2-Cyclohexylazepane hydrochloride |
| IUPAC Name | 2-cyclohexylazepane;hydrochloride |
| InChI | InChI=1S/C12H23N.ClH/c1-3-7-11(8-4-1)12-9-5-2-6-10-13-12;/h11-13H,1-10H2;1H |
| InChI Key | UBXHYWYTZOHBNK-UHFFFAOYSA-N |
| MDL Number | MFCD19382243 |
| Molecular Formula | C12H24ClN |
| Molecular Weight | 217.7787 |
| SMILES | Cl.C1CCC(C2NCCCCC2)CC1 |
| Synonyms | 2-cyclohexylazepane hydrochloride,
1315367-47-5,
2-Cyclohexylhexahydro-1H-azepine Hydrochloride,
AKOS027446931,
NE49098,
EN300-80466,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.16g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.781g/mol |
| Monoisotopic Mass | 217.16g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number