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139111-72-1 | Pyridinium, 1,1',1''-phosphinidynetris[4-(dimethylamino)-, trichloride (9CI)
CAS No: 139111-72-1 Catalog No: AG001ABA MDL No:
Product Description
Catalog Number:
AG001ABA
Chemical Name:
Pyridinium, 1,1',1''-phosphinidynetris[4-(dimethylamino)-, trichloride (9CI)
CAS Number:
139111-72-1
Molecular Formula:
C21H30Cl3N6P
Molecular Weight:
503.8359
IUPAC Name:
1-bis[4-(dimethylamino)pyridin-1-ium-1-yl]phosphanyl-N,N-dimethylpyridin-1-ium-4-amine;trichloride
InChI:
InChI=1S/C21H30N6P.3ClH/c1-22(2)19-7-13-25(14-8-19)28(26-15-9-20(10-16-26)23(3)4)27-17-11-21(12-18-27)24(5)6;;;/h7-18H,1-6H3;3*1H/q+3;;;/p-3
InChI Key:
JLSYPKXENSRSRV-UHFFFAOYSA-K
SMILES:
CN(c1cc[n+](cc1)P([n+]1ccc(cc1)N(C)C)[n+]1ccc(cc1)N(C)C)C.[Cl-].[Cl-].[Cl-]
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
502.134g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
503.837g/mol
Monoisotopic Mass:
502.134g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
21.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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