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88477-47-8 | Pyridinium, 1-hexadecyl-3,4-dimethyl-, iodide
CAS No: 88477-47-8 Catalog No: AG0049WR MDL No:
Product Description
Catalog Number:
AG0049WR
Chemical Name:
Pyridinium, 1-hexadecyl-3,4-dimethyl-, iodide
CAS Number:
88477-47-8
Molecular Formula:
C23H42IN
Molecular Weight:
459.4908
IUPAC Name:
1-hexadecyl-3,4-dimethylpyridin-1-ium;iodide
InChI:
InChI=1S/C23H42N.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-20-18-22(2)23(3)21-24;/h18,20-21H,4-17,19H2,1-3H3;1H/q+1;/p-1
InChI Key:
TVXBJJGNUXINIF-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCC[n+]1ccc(c(c1)C)C.[I-]
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.236g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
459.5g/mol
Monoisotopic Mass:
459.236g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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