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1223158-00-6 | Carbamic acid, N-[(1R,3R)-3-aminocyclohexyl]-, phenylmethyl ester, rel-
CAS No: 1223158-00-6 Catalog No: AG00172W MDL No:
Product Description
Catalog Number:
AG00172W
Chemical Name:
Carbamic acid, N-[(1R,3R)-3-aminocyclohexyl]-, phenylmethyl ester, rel-
CAS Number:
1223158-00-6
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
IUPAC Name:
benzyl N-[(1R,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-CHWSQXEVSA-N
SMILES:
N[C@@H]1CCC[C@H](C1)NC(=O)OCc1ccccc1
Properties
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
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