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85684-50-0 | METHYLPHENYLBIS((PHENYLAMINO)METHYL)PHOSPHONIUM IODIDE
CAS No: 85684-50-0 Catalog No: AG0050HW MDL No:
Product Description
Catalog Number:
AG0050HW
Chemical Name:
METHYLPHENYLBIS((PHENYLAMINO)METHYL)PHOSPHONIUM IODIDE
CAS Number:
85684-50-0
Molecular Formula:
C21H24IN2P
Molecular Weight:
462.3069
IUPAC Name:
bis(anilinomethyl)-methyl-phenylphosphanium;iodide
InChI:
InChI=1S/C21H24N2P.HI/c1-24(21-15-9-4-10-16-21,17-22-19-11-5-2-6-12-19)18-23-20-13-7-3-8-14-20;/h2-16,22-23H,17-18H2,1H3;1H/q+1;/p-1
InChI Key:
ZJUCVCFJGRCAOR-UHFFFAOYSA-M
SMILES:
C[P+](c1ccccc1)(CNc1ccccc1)CNc1ccccc1.[I-]
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.072g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
462.315g/mol
Monoisotopic Mass:
462.072g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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