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14402-24-5 | Pyridinium, 1-hexyl-2-methyl-, iodide (1:1)
CAS No: 14402-24-5 Catalog No: AG001ITC MDL No:
Product Description
Catalog Number:
AG001ITC
Chemical Name:
Pyridinium, 1-hexyl-2-methyl-, iodide (1:1)
CAS Number:
14402-24-5
Molecular Formula:
C12H20IN
Molecular Weight:
305.1984
IUPAC Name:
1-hexyl-2-methylpyridin-1-ium;iodide
InChI:
InChI=1S/C12H20N.HI/c1-3-4-5-7-10-13-11-8-6-9-12(13)2;/h6,8-9,11H,3-5,7,10H2,1-2H3;1H/q+1;/p-1
InChI Key:
DQMXJUMJINJCDL-UHFFFAOYSA-M
SMILES:
CCCCCC[n+]1ccccc1C.[I-]
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.203g/mol
Monoisotopic Mass:
305.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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