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88451-15-4 | Urea, N-butyl-N-(phenylmethyl)-N'-(2,4,6-trimethylphenyl)-
CAS No: 88451-15-4 Catalog No: AG004INJ MDL No:
Product Description
Catalog Number:
AG004INJ
Chemical Name:
Urea, N-butyl-N-(phenylmethyl)-N'-(2,4,6-trimethylphenyl)-
CAS Number:
88451-15-4
Molecular Formula:
C21H28N2O
Molecular Weight:
324.4598
IUPAC Name:
1-benzyl-1-butyl-3-(2,4,6-trimethylphenyl)urea
InChI:
InChI=1S/C21H28N2O/c1-5-6-12-23(15-19-10-8-7-9-11-19)21(24)22-20-17(3)13-16(2)14-18(20)4/h7-11,13-14H,5-6,12,15H2,1-4H3,(H,22,24)
InChI Key:
LIEOQKOTIYVPKN-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)Nc1c(C)cc(cc1C)C)Cc1ccccc1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.22g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.468g/mol
Monoisotopic Mass:
324.22g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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