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86781-41-1 | Urea, N'-(2,4-dimethylphenyl)-N,N-bis(1-methylpropyl)-
CAS No: 86781-41-1 Catalog No: AG004JI2 MDL No:
Product Description
Catalog Number:
AG004JI2
Chemical Name:
Urea, N'-(2,4-dimethylphenyl)-N,N-bis(1-methylpropyl)-
CAS Number:
86781-41-1
Molecular Formula:
C17H28N2O
Molecular Weight:
276.4170
IUPAC Name:
1,1-di(butan-2-yl)-3-(2,4-dimethylphenyl)urea
InChI:
InChI=1S/C17H28N2O/c1-7-14(5)19(15(6)8-2)17(20)18-16-10-9-12(3)11-13(16)4/h9-11,14-15H,7-8H2,1-6H3,(H,18,20)
InChI Key:
RXHMMZUNGFNBMA-UHFFFAOYSA-N
SMILES:
CCC(N(C(=O)Nc1ccc(cc1C)C)C(CC)C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.22g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.424g/mol
Monoisotopic Mass:
276.22g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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