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179739-04-9 | Phosphonium, [[3-(dibutylamino)phenyl]methyl]triphenyl-, chloride (1:1)
CAS No: 179739-04-9 Catalog No: AG00278N MDL No:
Product Description
Catalog Number:
AG00278N
Chemical Name:
Phosphonium, [[3-(dibutylamino)phenyl]methyl]triphenyl-, chloride (1:1)
CAS Number:
179739-04-9
Molecular Formula:
C33H39ClNP
Molecular Weight:
516.0962
IUPAC Name:
[3-(dibutylamino)phenyl]methyl-triphenylphosphanium;chloride
InChI:
InChI=1S/C33H39NP.ClH/c1-3-5-25-34(26-6-4-2)30-18-16-17-29(27-30)28-35(31-19-10-7-11-20-31,32-21-12-8-13-22-32)33-23-14-9-15-24-33;/h7-24,27H,3-6,25-26,28H2,1-2H3;1H/q+1;/p-1
InChI Key:
CBJZBOIVNVUMDO-UHFFFAOYSA-M
SMILES:
CCCCN(c1cccc(c1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CCCC.[Cl-]
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
515.251g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.106g/mol
Monoisotopic Mass:
515.251g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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