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Home > Pyridines > 138704-03-7
138704-03-7 | 4,4'-Bipyridinium, 1-ethyl-1'-[5-(trimethylammonio)pentyl]-
CAS No: 138704-03-7 Catalog No: AG00191X MDL No:
Product Description
Catalog Number:
AG00191X
Chemical Name:
4,4'-Bipyridinium, 1-ethyl-1'-[5-(trimethylammonio)pentyl]-
CAS Number:
138704-03-7
Molecular Formula:
C20H32N3+++
Molecular Weight:
314.4882
IUPAC Name:
5-[4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]pentyl-trimethylazanium
InChI:
InChI=1S/C20H32N3/c1-5-21-14-9-19(10-15-21)20-11-16-22(17-12-20)13-7-6-8-18-23(2,3)4/h9-12,14-17H,5-8,13,18H2,1-4H3/q+3
InChI Key:
LJULVOQXOKKOQM-UHFFFAOYSA-N
SMILES:
CC[n+]1ccc(cc1)c1cc[n+](cc1)CCCCC[N+](C)(C)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.26g/mol
Formal Charge:
3
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.497g/mol
Monoisotopic Mass:
314.26g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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