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7279-52-9 | 1-ETHYL-2-(2-(TRIETHYLAMMONIO)ETHYL)PYRIDINIUM DIIODIDE
CAS No: 7279-52-9 Catalog No: AG0061OP MDL No:
Product Description
Catalog Number:
AG0061OP
Chemical Name:
1-ETHYL-2-(2-(TRIETHYLAMMONIO)ETHYL)PYRIDINIUM DIIODIDE
CAS Number:
7279-52-9
Molecular Formula:
C15H28I2N2
Molecular Weight:
490.2052
IUPAC Name:
triethyl-[2-(1-ethylpyridin-1-ium-2-yl)ethyl]azanium;diiodide
InChI:
InChI=1S/C15H28N2.2HI/c1-5-16-13-10-9-11-15(16)12-14-17(6-2,7-3)8-4;;/h9-11,13H,5-8,12,14H2,1-4H3;2*1H/q+2;;/p-2
InChI Key:
KVHCNDMWXJKIGY-UHFFFAOYSA-L
SMILES:
CC[n+]1ccccc1CC[N+](CC)(CC)CC.[I-].[I-]
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.034g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
490.212g/mol
Monoisotopic Mass:
490.034g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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