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86781-48-8 | Urea, N,N-didecyl-N'-(2,4-dimethylphenyl)-
CAS No: 86781-48-8 Catalog No: AG004JI1 MDL No:
Product Description
Catalog Number:
AG004JI1
Chemical Name:
Urea, N,N-didecyl-N'-(2,4-dimethylphenyl)-
CAS Number:
86781-48-8
Molecular Formula:
C29H52N2O
Molecular Weight:
444.7360
IUPAC Name:
1,1-didecyl-3-(2,4-dimethylphenyl)urea
InChI:
InChI=1S/C29H52N2O/c1-5-7-9-11-13-15-17-19-23-31(24-20-18-16-14-12-10-8-6-2)29(32)30-28-22-21-26(3)25-27(28)4/h21-22,25H,5-20,23-24H2,1-4H3,(H,30,32)
InChI Key:
BSFGJAQNWOUCGU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCN(C(=O)Nc1ccc(cc1C)C)CCCCCCCCCC
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.408g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
444.748g/mol
Monoisotopic Mass:
444.408g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5
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