200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 88451-04-1
88451-04-1 | Urea, N-butyl-N'-(3-nitrophenyl)-N,N'-bis(phenylmethyl)-
CAS No: 88451-04-1 Catalog No: AG004EI2 MDL No:
Product Description
Catalog Number:
AG004EI2
Chemical Name:
Urea, N-butyl-N'-(3-nitrophenyl)-N,N'-bis(phenylmethyl)-
CAS Number:
88451-04-1
Molecular Formula:
C25H27N3O3
Molecular Weight:
417.5002
IUPAC Name:
1,3-dibenzyl-1-butyl-3-(3-nitrophenyl)urea
InChI:
InChI=1S/C25H27N3O3/c1-2-3-17-26(19-21-11-6-4-7-12-21)25(29)27(20-22-13-8-5-9-14-22)23-15-10-16-24(18-23)28(30)31/h4-16,18H,2-3,17,19-20H2,1H3
InChI Key:
WZCYLQNSCSKXFA-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)N(c1cccc(c1)[N+](=O)[O-])Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.205g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
417.509g/mol
Monoisotopic Mass:
417.205g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.