| CAS Number | 1932063-48-3 |
| Catalog Number | AG019EN8 |
| Chemical Name | Benzyl N-[(1R,3S)-3-aminocyclohexyl]carbamate |
| IUPAC Name | benzyl N-[(1R,3S)-3-aminocyclohexyl]carbamate |
| InChI | InChI=1S/C14H20N2O2/c15-12-7-4-8-13(9-12)16-14(17)18-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,15H2,(H,16,17)/t12-,13+/m0/s1 |
| InChI Key | NFWZARAFTINKJK-QWHCGFSZSA-N |
| MDL Number | MFCD18207256 |
| Molecular Formula | C14H20N2O2 |
| Molecular Weight | 248.3208 |
| SMILES | N[C@@H]1C[C@@H](CCC1)NC(OCC1=CC=CC=C1)=O |
| Synonyms | Benzyl ((1R,3S)-3-aminocyclohexyl)carbamate,
1261225-45-9,
Benzyl (cis-3-aminocyclohexyl)carbamate,
Benzyl [(1R,3S)-3-aminocyclohexyl]carbamate,
SCHEMBL16070788,
DTXSID90856391,
cis-Benzyl 3-aminocyclohexylcarbamate,
cis-benzyl-3-aminocyclohexylcarbamate,
MFCD18207256,
ZINC91675895,
AKOS016845754,
FCH3999221,
AJ-131858,
AX8255938,
CS-0079946,
(1R,3S)-BENZYL 3-AMINOCYCLOHEXYLCARBAMATE,
1932063-48-3,
1089695-63-5,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.326g/mol |
| Monoisotopic Mass | 248.152g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number