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149423-77-8 | Carbamic acid, N-(trans-4-aminocyclohexyl)-, phenylmethyl ester
CAS No: 149423-77-8 Catalog No: AG001LOS MDL No:MFCD03839901
Product Description
Catalog Number:
AG001LOS
Chemical Name:
Carbamic acid, N-(trans-4-aminocyclohexyl)-, phenylmethyl ester
CAS Number:
149423-77-8
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD03839901
IUPAC Name:
benzyl N-(4-aminocyclohexyl)carbamate
InChI:
InChI=1S/C14H20N2O2/c15-12-6-8-13(9-7-12)16-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,16,17)
InChI Key:
JQVBZZUMWRXDSQ-UHFFFAOYSA-N
SMILES:
N[C@@H]1CC[C@H](CC1)NC(=O)OCc1ccccc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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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