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86781-49-9 | Urea, N'-(2,4-dimethylphenyl)-N,N-didodecyl-
CAS No: 86781-49-9 Catalog No: AG004JI0 MDL No:
Product Description
Catalog Number:
AG004JI0
Chemical Name:
Urea, N'-(2,4-dimethylphenyl)-N,N-didodecyl-
CAS Number:
86781-49-9
Molecular Formula:
C33H60N2O
Molecular Weight:
500.8423
IUPAC Name:
3-(2,4-dimethylphenyl)-1,1-didodecylurea
InChI:
InChI=1S/C33H60N2O/c1-5-7-9-11-13-15-17-19-21-23-27-35(28-24-22-20-18-16-14-12-10-8-6-2)33(36)34-32-26-25-30(3)29-31(32)4/h25-26,29H,5-24,27-28H2,1-4H3,(H,34,36)
InChI Key:
RICOMJBVCBVCPA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN(C(=O)Nc1ccc(cc1C)C)CCCCCCCCCCCC
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.471g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
500.856g/mol
Monoisotopic Mass:
500.471g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.6
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