| CAS Number | 879876-86-5 |
| Catalog Number | AG01EHS1 |
| Chemical Name | 1-[rac-(1r,4r)-4-aminocyclohexyl]ethan-1-one hydrochloride, trans |
| IUPAC Name | 1-(4-aminocyclohexyl)ethanone;hydrochloride |
| InChI | InChI=1S/C8H15NO.ClH/c1-6(10)7-2-4-8(9)5-3-7;/h7-8H,2-5,9H2,1H3;1H |
| InChI Key | BIMXYHFQLAWZMO-UHFFFAOYSA-N |
| MDL Number | MFCD31628951 |
| Molecular Formula | C8H16ClNO |
| Molecular Weight | 177.6717 |
| SMILES | CC([C@H]1CC[C@H](N)CC1)=O.[H]Cl |
| Synonyms | SCHEMBL572289,
SCHEMBL572432,
BIMXYHFQLAWZMO-KVZVIFLMSA-N,
AKOS034820956,
1-(cis-4-aminocyclohexyl)ethanone hydrochloride,
1-[rac-(1r,4r)-4-aminocyclohexyl]ethan-1-one hydrochloride, trans,
879876-86-5,
|
| Complexity | 125 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.672g/mol |
| Monoisotopic Mass | 177.092g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number