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86781-17-1 | Urea, N,N-dibutyl-N'-[4-(1-methylethyl)phenyl]-
CAS No: 86781-17-1 Catalog No: AG004S1D MDL No:
Product Description
Catalog Number:
AG004S1D
Chemical Name:
Urea, N,N-dibutyl-N'-[4-(1-methylethyl)phenyl]-
CAS Number:
86781-17-1
Molecular Formula:
C18H30N2O
Molecular Weight:
290.4436
IUPAC Name:
1,1-dibutyl-3-(4-propan-2-ylphenyl)urea
InChI:
InChI=1S/C18H30N2O/c1-5-7-13-20(14-8-6-2)18(21)19-17-11-9-16(10-12-17)15(3)4/h9-12,15H,5-8,13-14H2,1-4H3,(H,19,21)
InChI Key:
ALSBFRUBAAFKOV-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)Nc1ccc(cc1)C(C)C)CCCC
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.236g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.451g/mol
Monoisotopic Mass:
290.236g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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