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88477-48-9 | Pyridinium, 3,4-dimethyl-1-octadecyl-, iodide
CAS No: 88477-48-9 Catalog No: AG0049WQ MDL No:
Product Description
Catalog Number:
AG0049WQ
Chemical Name:
Pyridinium, 3,4-dimethyl-1-octadecyl-, iodide
CAS Number:
88477-48-9
Molecular Formula:
C25H46IN
Molecular Weight:
487.5439
IUPAC Name:
3,4-dimethyl-1-octadecylpyridin-1-ium;iodide
InChI:
InChI=1S/C25H46N.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-26-22-20-24(2)25(3)23-26;/h20,22-23H,4-19,21H2,1-3H3;1H/q+1;/p-1
InChI Key:
NUGBVUZUFXIMRT-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCC[n+]1ccc(c(c1)C)C.[I-]
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
487.267g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
487.554g/mol
Monoisotopic Mass:
487.267g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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