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828936-19-2 | 1-Pentanamine, 4,5-bis[bis(4-methylphenyl)phosphinyl]-N,N-dibutyl-
CAS No: 828936-19-2 Catalog No: AG0054FS MDL No:
Product Description
Catalog Number:
AG0054FS
Chemical Name:
1-Pentanamine, 4,5-bis[bis(4-methylphenyl)phosphinyl]-N,N-dibutyl-
CAS Number:
828936-19-2
Molecular Formula:
C41H55NO2P2
Molecular Weight:
655.8284
IUPAC Name:
4,5-bis[bis(4-methylphenyl)phosphoryl]-N,N-dibutylpentan-1-amine
InChI:
InChI=1S/C41H55NO2P2/c1-7-9-29-42(30-10-8-2)31-11-12-41(46(44,39-25-17-35(5)18-26-39)40-27-19-36(6)20-28-40)32-45(43,37-21-13-33(3)14-22-37)38-23-15-34(4)16-24-38/h13-28,41H,7-12,29-32H2,1-6H3
InChI Key:
INJOIQIMPNLDMV-UHFFFAOYSA-N
SMILES:
CCCCN(CCCC)CCCC(P(=O)(c1ccc(cc1)C)c1ccc(cc1)C)CP(=O)(c1ccc(cc1)C)c1ccc(cc1)C
Properties
Complexity:
876
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
655.371g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
655.844g/mol
Monoisotopic Mass:
655.371g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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