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13106-53-1 | Pyridinium, 1-hexadecyl-4-methyl-, chloride (1:1)
CAS No: 13106-53-1 Catalog No: AG000VGT MDL No:MFCD02093475
Product Description
Catalog Number:
AG000VGT
Chemical Name:
Pyridinium, 1-hexadecyl-4-methyl-, chloride (1:1)
CAS Number:
13106-53-1
Molecular Formula:
C22H40ClN
Molecular Weight:
354.0127
MDL Number:
MFCD02093475
IUPAC Name:
1-hexadecyl-4-methylpyridin-1-ium;chloride;hydrate
InChI:
InChI=1S/C22H40N.ClH.H2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-20-17-22(2)18-21-23;;/h17-18,20-21H,3-16,19H2,1-2H3;1H;1H2/q+1;;/p-1
InChI Key:
MSGYFUKIEVMGOZ-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCC[n+]1ccc(cc1)C.[Cl-]
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.295g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.034g/mol
Monoisotopic Mass:
371.295g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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