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88477-57-0 | Pyridinium, 1-dodecyl-3,5-dimethyl-, iodide
CAS No: 88477-57-0 Catalog No: AG004AFN MDL No:
Product Description
Catalog Number:
AG004AFN
Chemical Name:
Pyridinium, 1-dodecyl-3,5-dimethyl-, iodide
CAS Number:
88477-57-0
Molecular Formula:
C19H34IN
Molecular Weight:
403.3844
IUPAC Name:
1-dodecyl-3,5-dimethylpyridin-1-ium;iodide
InChI:
InChI=1S/C19H34N.HI/c1-4-5-6-7-8-9-10-11-12-13-14-20-16-18(2)15-19(3)17-20;/h15-17H,4-14H2,1-3H3;1H/q+1;/p-1
InChI Key:
CNUJDLYWKTWXIE-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCC[n+]1cc(C)cc(c1)C.[I-]
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.174g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.392g/mol
Monoisotopic Mass:
403.174g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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