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Home > Pyridines > 114828-82-9
114828-82-9 | Pyridinium, 1-tetradecyl-, sulfate (2:1)
CAS No: 114828-82-9 Catalog No: AG000FAU MDL No:
Product Description
Catalog Number:
AG000FAU
Chemical Name:
Pyridinium, 1-tetradecyl-, sulfate (2:1)
CAS Number:
114828-82-9
Molecular Formula:
C38H68N2O4S
Molecular Weight:
649.0225
IUPAC Name:
1-tetradecylpyridin-1-ium;sulfate
InChI:
InChI=1S/2C19H34N.H2O4S/c2*1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-18-15-13-16-19-20;1-5(2,3)4/h2*13,15-16,18-19H,2-12,14,17H2,1H3;(H2,1,2,3,4)/q2*+1;/p-2
InChI Key:
GGFDNANDJDUCNS-UHFFFAOYSA-L
SMILES:
[O-]S(=O)(=O)[O-].CCCCCCCCCCCCCC[n+]1ccccc1.CCCCCCCCCCCCCC[n+]1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
648.49g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
649.032g/mol
Monoisotopic Mass:
648.49g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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