| CAS Number | 759402-65-8 |
| Catalog Number | AG005H2L(AGN-PC-0WR1US) |
| Chemical Name | trans-2-(4-Methoxy-benzylamino)-cyclohexanol |
| IUPAC Name | (1R,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol |
| InChI | InChI=1S/C14H21NO2/c1-17-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16/h6-9,13-16H,2-5,10H2,1H3/t13-,14-/m1/s1 |
| InChI Key | ILJUCVXCEPFGIK-ZIAGYGMSSA-N |
| MDL Number | MFCD07366628 |
| Molecular Formula | C14H21NO2 |
| Molecular Weight | 235.3220 |
| SMILES | COc1ccc(cc1)CN[C@@H]1CCCC[C@H]1O |
| Synonyms | trans-2-(4-Methoxy-benzylamino)-cyclohexanol,
759402-65-8,
CTK8E6469,
AA289,
MFCD07366628,
ZINC32099025,
AKOS026281916,
AB31040,
OR307636,
trans-2-(4-Methoxybenzylamino)cyclohexanol,
RT-016075,
T6656,
Z1730233430,
(1R,2R)-2-{[(4-methoxyphenyl)methyl]amino}cyclohexan-1-ol,
1660111-22-7,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.327g/mol |
| Monoisotopic Mass | 235.157g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 41.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number