| CAS Number | 1383375-98-1 |
| Catalog Number | AG00J2BI(AGN-PC-0WRAO8) |
| Chemical Name | tert-butyl rac-[(1R,3S)-3-aminocyclohexyl]carbamate hydrochloride |
| IUPAC Name | tert-butyl N-[(1R,3S)-3-aminocyclohexyl]carbamate;hydrochloride |
| InChI | InChI=1S/C11H22N2O2.ClH/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9;/h8-9H,4-7,12H2,1-3H3,(H,13,14);1H/t8-,9+;/m0./s1 |
| InChI Key | LLEANKHCIRWNRG-OULXEKPRSA-N |
| MDL Number | MFCD28892096 |
| Molecular Formula | C11H23ClN2O2 |
| Molecular Weight | 250.7655 |
| SMILES | C(=O)(OC(C)(C)C)N[C@@H]1CCC[C@H](N)C1.Cl |
| Synonyms | 1383375-98-1,
MFCD28892096,
AKOS030242879,
t-Butyl rac-[(1R,3S)-3-aminocyclohexyl]carbamate hydrochloride,
Carbamic acid, [(1R,3S)-3-aminocyclohexyl]-, 1,1-dimethylethyl ester,rel-,
cis-1-N-Boc-1,3-cyclohexyldiamine(racemic)HCl,
849616-22-4,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.145g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.767g/mol |
| Monoisotopic Mass | 250.145g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number