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7279-51-8 | 1-METHYL-2-(2-(TRIMETHYLAMMONIO)ETHYL)PYRIDINIUM DIIODIDE
CAS No: 7279-51-8 Catalog No: AG0061OQ MDL No:
Product Description
Catalog Number:
AG0061OQ
Chemical Name:
1-METHYL-2-(2-(TRIMETHYLAMMONIO)ETHYL)PYRIDINIUM DIIODIDE
CAS Number:
7279-51-8
Molecular Formula:
C11H20I2N2
Molecular Weight:
434.0988
IUPAC Name:
trimethyl-[2-(1-methylpyridin-1-ium-2-yl)ethyl]azanium;diiodide
InChI:
InChI=1S/C11H20N2.2HI/c1-12-9-6-5-7-11(12)8-10-13(2,3)4;;/h5-7,9H,8,10H2,1-4H3;2*1H/q+2;;/p-2
InChI Key:
ITSSWBLWEGIADA-UHFFFAOYSA-L
SMILES:
C[n+]1ccccc1CC[N+](C)(C)C.[I-].[I-]
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.972g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
434.104g/mol
Monoisotopic Mass:
433.972g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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