| CAS Number | 1898181-18-4 |
| Catalog Number | AG01DW36 |
| Chemical Name | (1R,3S)-Ethyl 3-aminocyclohexanecarboxylate hydrochloride |
| IUPAC Name | ethyl (1R,3S)-3-aminocyclohexane-1-carboxylate;hydrochloride |
| InChI | InChI=1S/C9H17NO2.ClH/c1-2-12-9(11)7-4-3-5-8(10)6-7;/h7-8H,2-6,10H2,1H3;1H/t7-,8+;/m1./s1 |
| InChI Key | MLDUTPQKFFVCJJ-WLYNEOFISA-N |
| MDL Number | MFCD29922880 |
| Molecular Formula | C9H18ClNO2 |
| Molecular Weight | 207.6977 |
| SMILES | Cl.CCOC([C@H]1C[C@@H](N)CCC1)=O |
| Synonyms | 1898181-18-4,
SCHEMBL9469482,
(1R,3S)-Ethyl 3-aminocyclohexanecarboxylate hydrochloride,
ethyl (1R,3S)-3-aminocyclohexane-1-carboxylate hydrochloride,
ethyl 3-aminocyclohexane-1-carboxylate,hydrochloride,
33073-64-2,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.698g/mol |
| Monoisotopic Mass | 207.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number