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88477-51-4 | Pyridinium, 1-dodecyl-2,4-dimethyl-, iodide
CAS No: 88477-51-4 Catalog No: AG004AFR MDL No:
Product Description
Catalog Number:
AG004AFR
Chemical Name:
Pyridinium, 1-dodecyl-2,4-dimethyl-, iodide
CAS Number:
88477-51-4
Molecular Formula:
C19H34IN
Molecular Weight:
403.3844
IUPAC Name:
1-dodecyl-2,4-dimethylpyridin-1-ium;iodide
InChI:
InChI=1S/C19H34N.HI/c1-4-5-6-7-8-9-10-11-12-13-15-20-16-14-18(2)17-19(20)3;/h14,16-17H,4-13,15H2,1-3H3;1H/q+1;/p-1
InChI Key:
YGQSSEDEYOSDLS-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCC[n+]1ccc(cc1C)C.[I-]
Properties
Complexity:
214
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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