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86781-50-2 | Urea, N'-(2,4-dimethylphenyl)-N,N-dinonyl-
CAS No: 86781-50-2 Catalog No: AG004S13 MDL No:
Product Description
Catalog Number:
AG004S13
Chemical Name:
Urea, N'-(2,4-dimethylphenyl)-N,N-dinonyl-
CAS Number:
86781-50-2
Molecular Formula:
C27H48N2O
Molecular Weight:
416.6828
IUPAC Name:
3-(2,4-dimethylphenyl)-1,1-di(nonyl)urea
InChI:
InChI=1S/C27H48N2O/c1-5-7-9-11-13-15-17-21-29(22-18-16-14-12-10-8-6-2)27(30)28-26-20-19-24(3)23-25(26)4/h19-20,23H,5-18,21-22H2,1-4H3,(H,28,30)
InChI Key:
HYINEVXSSJSWKH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCN(C(=O)Nc1ccc(cc1C)C)CCCCCCCCC
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.377g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
416.694g/mol
Monoisotopic Mass:
416.377g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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