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88477-46-7 | Pyridinium, 3,4-dimethyl-1-tetradecyl-, iodide
CAS No: 88477-46-7 Catalog No: AG0049PM MDL No:
Product Description
Catalog Number:
AG0049PM
Chemical Name:
Pyridinium, 3,4-dimethyl-1-tetradecyl-, iodide
CAS Number:
88477-46-7
Molecular Formula:
C21H38IN
Molecular Weight:
431.4376
IUPAC Name:
3,4-dimethyl-1-tetradecylpyridin-1-ium;iodide
InChI:
InChI=1S/C21H38N.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-22-18-16-20(2)21(3)19-22;/h16,18-19H,4-15,17H2,1-3H3;1H/q+1;/p-1
InChI Key:
PJEWJKGXCDIWMC-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCC[n+]1ccc(c(c1)C)C.[I-]
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.205g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.446g/mol
Monoisotopic Mass:
431.205g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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