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Home > Pyridines > 126633-59-8
126633-59-8 | Pyridinium, 1-ethyl-3-phenyl-
CAS No: 126633-59-8 Catalog No: AG000T0Z MDL No:
Product Description
Catalog Number:
AG000T0Z
Chemical Name:
Pyridinium, 1-ethyl-3-phenyl-
CAS Number:
126633-59-8
Molecular Formula:
C13H14N+
Molecular Weight:
184.2570
IUPAC Name:
1-ethyl-3-phenylpyridin-1-ium
InChI:
InChI=1S/C13H14N/c1-2-14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-11H,2H2,1H3/q+1
InChI Key:
TUMQPMKVYZEMTE-UHFFFAOYSA-N
SMILES:
CC[n+]1cccc(c1)c1ccccc1
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.113g/mol
Formal Charge:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.262g/mol
Monoisotopic Mass:
184.113g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Influence of molecular structure on substrate binding to the human organic cation transporter, hOCT1. | Molecular pharmacology 20030301 |
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