| CAS Number | 15676-75-2 |
| Catalog Number | AG01BFZJ(AGN-PC-0WOTPQ) |
| Chemical Name | 3-(dimethylamino)cyclohexan-1-one hydrochloride |
| IUPAC Name | 3-(dimethylamino)cyclohexan-1-one;hydrochloride |
| InChI | InChI=1S/C8H15NO.ClH/c1-9(2)7-4-3-5-8(10)6-7;/h7H,3-6H2,1-2H3;1H |
| InChI Key | CMARVAKHAVBXOT-UHFFFAOYSA-N |
| MDL Number | MFCD28118773 |
| Molecular Formula | C8H16ClNO |
| Molecular Weight | 177.6717 |
| SMILES | Cl.CN(C1CC(=O)CCC1)C |
| Synonyms | 3-(dimethylamino)cyclohexan-1-one hydrochloride,
15676-75-2,
AKOS026743306,
3-(Dimethylamino)cyclohexanone hydrochloride,
CS-0068902,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.672g/mol |
| Monoisotopic Mass | 177.092g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number