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86781-21-7 | Urea, N,N-dibutyl-N'-(2,6-dimethylphenyl)-
CAS No: 86781-21-7 Catalog No: AG004JIB MDL No:
Product Description
Catalog Number:
AG004JIB
Chemical Name:
Urea, N,N-dibutyl-N'-(2,6-dimethylphenyl)-
CAS Number:
86781-21-7
Molecular Formula:
C17H28N2O
Molecular Weight:
276.4170
IUPAC Name:
1,1-dibutyl-3-(2,6-dimethylphenyl)urea
InChI:
InChI=1S/C17H28N2O/c1-5-7-12-19(13-8-6-2)17(20)18-16-14(3)10-9-11-15(16)4/h9-11H,5-8,12-13H2,1-4H3,(H,18,20)
InChI Key:
YPZGKHSVUKQBCI-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)Nc1c(C)cccc1C)CCCC
Properties
Complexity:
262
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:
7
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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