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2349-55-5 | Pyridinium, 1-hexadecyl-, iodide (1:1)
CAS No: 2349-55-5 Catalog No: AG002NE9 MDL No:
Product Description
Catalog Number:
AG002NE9
Chemical Name:
Pyridinium, 1-hexadecyl-, iodide (1:1)
CAS Number:
2349-55-5
Molecular Formula:
C21H38IN
Molecular Weight:
431.4376
IUPAC Name:
1-hexadecylpyridin-1-ium;iodide
InChI:
InChI=1S/C21H38N.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1
InChI Key:
KQVYBYSUVFRMGE-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCC[n+]1ccccc1.[I-]
Properties
Complexity:
208
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:
15
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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