| CAS Number | 1257303-71-1 |
| Catalog Number | AG01FFO7(AGN-PC-3H4A8G) |
| Chemical Name | cis-3-(((benzyloxy)carbonyl)amino)cyclohexyl acetate |
| IUPAC Name | [(1S,3R)-3-(phenylmethoxycarbonylamino)cyclohexyl] acetate |
| InChI | InChI=1S/C16H21NO4/c1-12(18)21-15-9-5-8-14(10-15)17-16(19)20-11-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-11H2,1H3,(H,17,19)/t14-,15+/m1/s1 |
| InChI Key | HONUIJYJMHZWAO-CABCVRRESA-N |
| MDL Number | MFCD28991927 |
| Molecular Formula | C16H21NO4 |
| Molecular Weight | 291.3422 |
| SMILES | |
| Synonyms | (1S,3R)-3-(((Benzyloxy)carbonyl)amino)cyclohexyl acetate,
1257303-71-1,
MFCD28991927,
AKOS027255788,
ZINC210132655,
750649-41-3,
|
| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.347g/mol |
| Monoisotopic Mass | 291.147g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number