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86781-18-2 | Urea, N,N-dibutyl-N'-(4-butylphenyl)-
CAS No: 86781-18-2 Catalog No: AG004JIC MDL No:
Product Description
Catalog Number:
AG004JIC
Chemical Name:
Urea, N,N-dibutyl-N'-(4-butylphenyl)-
CAS Number:
86781-18-2
Molecular Formula:
C19H32N2O
Molecular Weight:
304.4702
IUPAC Name:
1,1-dibutyl-3-(4-butylphenyl)urea
InChI:
InChI=1S/C19H32N2O/c1-4-7-10-17-11-13-18(14-12-17)20-19(22)21(15-8-5-2)16-9-6-3/h11-14H,4-10,15-16H2,1-3H3,(H,20,22)
InChI Key:
ZSQJFAFRRMBAPQ-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)NC(=O)N(CCCC)CCCC
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.251g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.478g/mol
Monoisotopic Mass:
304.251g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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