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113699-33-5 | Cyclohexanecarboxylic acid, 4-[(phenylmethyl)amino]-, ethyl ester
CAS No: 113699-33-5 Catalog No: AG0009CU MDL No:
Product Description
Catalog Number:
AG0009CU
Chemical Name:
Cyclohexanecarboxylic acid, 4-[(phenylmethyl)amino]-, ethyl ester
CAS Number:
113699-33-5
Molecular Formula:
C16H23NO2
Molecular Weight:
261.3593
IUPAC Name:
ethyl 4-(benzylamino)cyclohexane-1-carboxylate
InChI:
InChI=1S/C16H23NO2/c1-2-19-16(18)14-8-10-15(11-9-14)17-12-13-6-4-3-5-7-13/h3-7,14-15,17H,2,8-12H2,1H3
InChI Key:
TZRIZRLULWVYKE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC(CC1)NCc1ccccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.365g/mol
Monoisotopic Mass:
261.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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