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87990-61-2 | Alanine, N-[4-(2-cyclohexyl-1,1-dimethylethoxy)phenyl]-2-methyl-
CAS No: 87990-61-2 Catalog No: AG004HQX MDL No:
Product Description
Catalog Number:
AG004HQX
Chemical Name:
Alanine, N-[4-(2-cyclohexyl-1,1-dimethylethoxy)phenyl]-2-methyl-
CAS Number:
87990-61-2
Molecular Formula:
C20H31NO3
Molecular Weight:
333.4650
IUPAC Name:
2-[4-(1-cyclohexyl-2-methylpropan-2-yl)oxyanilino]-2-methylpropanoic acid
InChI:
InChI=1S/C20H31NO3/c1-19(2,14-15-8-6-5-7-9-15)24-17-12-10-16(11-13-17)21-20(3,4)18(22)23/h10-13,15,21H,5-9,14H2,1-4H3,(H,22,23)
InChI Key:
IEWJHUOGZMMRKB-UHFFFAOYSA-N
SMILES:
OC(=O)C(Nc1ccc(cc1)OC(CC1CCCCC1)(C)C)(C)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.23g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.472g/mol
Monoisotopic Mass:
333.23g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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