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25057-79-8 | Pyridinium, 1,1'-(1,4-butanediyl)bis-, chloride (1:2)
CAS No: 25057-79-8 Catalog No: AG002QAV MDL No:
Product Description
Catalog Number:
AG002QAV
Chemical Name:
Pyridinium, 1,1'-(1,4-butanediyl)bis-, chloride (1:2)
CAS Number:
25057-79-8
Molecular Formula:
C14H18Cl2N2
Molecular Weight:
285.2121
IUPAC Name:
1-(4-pyridin-1-ium-1-ylbutyl)pyridin-1-ium;dichloride
InChI:
InChI=1S/C14H18N2.2ClH/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;;/h1-6,9-12H,7-8,13-14H2;2*1H/q+2;;/p-2
InChI Key:
OSOPUXURUGZMFL-UHFFFAOYSA-L
SMILES:
C(C[n+]1ccccc1)CC[n+]1ccccc1.[Cl-].[Cl-]
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.212g/mol
Monoisotopic Mass:
284.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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