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Home > Pyridines > 129536-42-1
129536-42-1 | Pyridinium, 4,4'-(1,2-ethanediyl)bis[1-(phenylmethyl)-, chloride (1:2)
CAS No: 129536-42-1 Catalog No: AG000Z70 MDL No:
Product Description
Catalog Number:
AG000Z70
Chemical Name:
Pyridinium, 4,4'-(1,2-ethanediyl)bis[1-(phenylmethyl)-, chloride (1:2)
CAS Number:
129536-42-1
Molecular Formula:
C26H26Cl2N2
Molecular Weight:
437.4040
IUPAC Name:
1-benzyl-4-[2-(1-benzylpyridin-1-ium-4-yl)ethyl]pyridin-1-ium;dichloride
InChI:
InChI=1S/C26H26N2.2ClH/c1-3-7-25(8-4-1)21-27-17-13-23(14-18-27)11-12-24-15-19-28(20-16-24)22-26-9-5-2-6-10-26;;/h1-10,13-20H,11-12,21-22H2;2*1H/q+2;;/p-2
InChI Key:
NNZQYDWTZPLFON-UHFFFAOYSA-L
SMILES:
c1ccc(cc1)C[n+]1ccc(cc1)CCc1cc[n+](cc1)Cc1ccccc1.[Cl-].[Cl-]
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.147g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
437.408g/mol
Monoisotopic Mass:
436.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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