| CAS Number | 937059-62-6 |
| Catalog Number | AG01E3J2 |
| Chemical Name | Ethyl (1S,3R)-3-aminocyclohexane-1-carboxylate hydrochloride |
| IUPAC Name | ethyl (1S,3R)-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+;/m0./s1 |
| InChI Key | MLDUTPQKFFVCJJ-KZYPOYLOSA-N |
| MDL Number | MFCD28167967 |
| Molecular Formula | C9H18ClNO2 |
| Molecular Weight | 207.6977 |
| SMILES | Cl.CCOC([C@@H]1C[C@H](N)CCC1)=O |
| Synonyms | 937059-62-6,
Ethyl (1S,3R)-3-aminocyclohexane-1-carboxylate hydrochloride,
SCHEMBL9469481,
MLDUTPQKFFVCJJ-KZYPOYLOSA-N,
Ethyl (1S,3R)-3-aminocyclohexane carboxylate hydrochloride,
cis-3-Aminocyclohexanecarboxylic acid ethyl ester hydrochloride,
|
| 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