| CAS Number | 1257303-72-2 |
| Catalog Number | AG01FFO2(AGN-PC-3H4A8D) |
| Chemical Name | benzyl (1R,3S)-(3-hydroxycyclohexyl)carbamate |
| IUPAC Name | benzyl N-[(1R,3S)-3-hydroxycyclohexyl]carbamate |
| InChI | InChI=1S/C14H19NO3/c16-13-8-4-7-12(9-13)15-14(17)18-10-11-5-2-1-3-6-11/h1-3,5-6,12-13,16H,4,7-10H2,(H,15,17)/t12-,13+/m1/s1 |
| InChI Key | FYIZIYCXUSGNLZ-OLZOCXBDSA-N |
| MDL Number | MFCD28902158 |
| Molecular Formula | C14H19NO3 |
| Molecular Weight | 249.3056 |
| SMILES | O[C@H]1CCC[C@H](C1)NC(=O)OCc1ccccc1 |
| Synonyms | ZINC95698623,
(3beta-Hydroxycyclohexane-1beta-yl)carbamic acid benzyl ester,
Carbamic acid, N-[(1R,3S)-3-hydroxycyclohexyl]-, phenylmethyl ester,
1257303-72-2,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.31g/mol |
| Monoisotopic Mass | 249.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number