| CAS Number | 1212095-50-5 |
| Catalog Number | AG00HG10(AGN-PC-0WR1QQ) |
| Chemical Name | cis-2-Benzylamino-cyclohexanol hydrochloride |
| IUPAC Name | (1S,2R)-2-(benzylamino)cyclohexan-1-ol;hydrochloride |
| InChI | InChI=1S/C13H19NO.ClH/c15-13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11;/h1-3,6-7,12-15H,4-5,8-10H2;1H/t12-,13+;/m1./s1 |
| InChI Key | LIVWXXSFUGDHHA-KZCZEQIWSA-N |
| MDL Number | MFCD07783753 |
| Molecular Formula | C13H20ClNO |
| Molecular Weight | 241.7570 |
| SMILES | O[C@H]1CCCC[C@H]1NCc1ccccc1.Cl |
| Synonyms | 1212095-50-5,
cis-2-Benzylamino-cyclohexanol hydrochloride,
MFCD07783753,
T6305,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.759g/mol |
| Monoisotopic Mass | 241.123g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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