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89022-93-5 | Pyridinium, 1-ethyl-2-hexadecyl-, iodide
CAS No: 89022-93-5 Catalog No: AG0042S3 MDL No:
Product Description
Catalog Number:
AG0042S3
Chemical Name:
Pyridinium, 1-ethyl-2-hexadecyl-, iodide
CAS Number:
89022-93-5
Molecular Formula:
C23H42IN
Molecular Weight:
459.4908
IUPAC Name:
1-ethyl-2-hexadecylpyridin-1-ium;iodide
InChI:
InChI=1S/C23H42N.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)4-2;/h18-19,21-22H,3-17,20H2,1-2H3;1H/q+1;/p-1
InChI Key:
FBUOLKAEROQQFB-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCc1cccc[n+]1CC.[I-]
Properties
Complexity:
250
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:
16
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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