| CAS Number | 1259278-12-0 |
| Catalog Number | AG019EMU |
| Chemical Name | Benzyl ((1S,3R)-3-aminocyclohexyl)carbamate |
| IUPAC Name | benzyl N-[(1S,3R)-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+/m1/s1 |
| InChI Key | NFWZARAFTINKJK-OLZOCXBDSA-N |
| MDL Number | MFCD28902159 |
| Molecular Formula | C14H20N2O2 |
| Molecular Weight | 248.3208 |
| SMILES | N[C@@H]1CCC[C@@H](C1)NC(=O)OCc1ccccc1 |
| Synonyms | 1259278-12-0,
Benzyl ((1S,3R)-3-aminocyclohexyl)carbamate,
(1S,3R)-BENZYL 3-AMINOCYCLOHEXYLCARBAMATE,
benzyl N-[(1S,3R)-3-aminocyclohexyl]carbamate,
1261225-45-9,
Benzyl (cis-3-aminocyclohexyl)carbamate,
SCHEMBL6371177,
cis-3-(Cbz-amino)cyclohexanamine,
NFWZARAFTINKJK-OLZOCXBDSA-N,
MFCD28902159,
ZINC91675903,
AKOS027255381,
benzyl (1S,3R)-3-aminocyclohexylcarbamate,
CS-0037424,
benzyl N-[(1S,3R)-3-aminocyclo-hexyl]carbamate,
Benzyl(cis-3-aminocyclohexyl)carbamate,
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| 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
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