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86781-56-8 | Urea, N'-(2,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-
CAS No: 86781-56-8 Catalog No: AG004JHX MDL No:
Product Description
Catalog Number:
AG004JHX
Chemical Name:
Urea, N'-(2,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-
CAS Number:
86781-56-8
Molecular Formula:
C17H28N2O
Molecular Weight:
276.4170
IUPAC Name:
3-(2,5-dimethylphenyl)-1,1-bis(2-methylpropyl)urea
InChI:
InChI=1S/C17H28N2O/c1-12(2)10-19(11-13(3)4)17(20)18-16-9-14(5)7-8-15(16)6/h7-9,12-13H,10-11H2,1-6H3,(H,18,20)
InChI Key:
JVCQJHDEQCCTKR-UHFFFAOYSA-N
SMILES:
CC(CN(C(=O)Nc1cc(C)ccc1C)CC(C)C)C
Properties
Complexity:
291
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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