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1259277-49-0 | Carbamic acid, N-[(1R,2S)-2-(aminomethyl)cyclohexyl]-, 1,1-dimethylethyl ester, rel-
CAS No: 1259277-49-0 Catalog No: AG000OZ6 MDL No:
Product Description
Catalog Number:
AG000OZ6
Chemical Name:
Carbamic acid, N-[(1R,2S)-2-(aminomethyl)cyclohexyl]-, 1,1-dimethylethyl ester, rel-
CAS Number:
1259277-49-0
Molecular Formula:
C12H24N2O2
Molecular Weight:
228.3312
IUPAC Name:
tert-butyl N-[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamate
InChI:
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-10-7-5-4-6-9(10)8-13/h9-10H,4-8,13H2,1-3H3,(H,14,15)/t9-,10+/m0/s1
InChI Key:
NYPPQRSVUJQKTO-VHSXEESVSA-N
SMILES:
NC[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
228.184g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.336g/mol
Monoisotopic Mass:
228.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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