200,000+ products from a single source!
sales@angenechem.com
828936-17-0 | 1-Butanamine, N-[[bis(3-nitrophenyl)phosphinyl]methyl]-N-butyl-
CAS No: 828936-17-0 Catalog No: AG004RO7 MDL No:
Product Description
Catalog Number:
AG004RO7
Chemical Name:
1-Butanamine, N-[[bis(3-nitrophenyl)phosphinyl]methyl]-N-butyl-
CAS Number:
828936-17-0
Molecular Formula:
C21H28N3O5P
Molecular Weight:
433.4379
IUPAC Name:
N-[bis(3-nitrophenyl)phosphorylmethyl]-N-butylbutan-1-amine
InChI:
InChI=1S/C21H28N3O5P/c1-3-5-13-22(14-6-4-2)17-30(29,20-11-7-9-18(15-20)23(25)26)21-12-8-10-19(16-21)24(27)28/h7-12,15-16H,3-6,13-14,17H2,1-2H3
InChI Key:
IIRNMQWPCYEEAK-UHFFFAOYSA-N
SMILES:
CCCCN(CP(=O)(c1cccc(c1)[N+](=O)[O-])c1cccc(c1)[N+](=O)[O-])CCCC
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.177g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
433.445g/mol
Monoisotopic Mass:
433.177g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.