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86802-60-0 | Urea, N,N-bis(4-cyclohexylbutyl)-N'-(2,4-dimethylphenyl)-
CAS No: 86802-60-0 Catalog No: AG004J3H MDL No:
Product Description
Catalog Number:
AG004J3H
Chemical Name:
Urea, N,N-bis(4-cyclohexylbutyl)-N'-(2,4-dimethylphenyl)-
CAS Number:
86802-60-0
Molecular Formula:
C29H48N2O
Molecular Weight:
440.7042
IUPAC Name:
1,1-bis(4-cyclohexylbutyl)-3-(2,4-dimethylphenyl)urea
InChI:
InChI=1S/C29H48N2O/c1-24-19-20-28(25(2)23-24)30-29(32)31(21-11-9-17-26-13-5-3-6-14-26)22-12-10-18-27-15-7-4-8-16-27/h19-20,23,26-27H,3-18,21-22H2,1-2H3,(H,30,32)
InChI Key:
WELIBGRYYKRTSE-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)NC(=O)N(CCCCC1CCCCC1)CCCCC1CCCCC1
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
440.377g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
440.716g/mol
Monoisotopic Mass:
440.377g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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