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Home > Pyridines > 142288-23-1
142288-23-1 | Pyridinium, 1-[3-(decyloxy)-2-hydroxypropyl]-, chloride (1:1)
CAS No: 142288-23-1 Catalog No: AG001I49 MDL No:
Product Description
Catalog Number:
AG001I49
Chemical Name:
Pyridinium, 1-[3-(decyloxy)-2-hydroxypropyl]-, chloride (1:1)
CAS Number:
142288-23-1
Molecular Formula:
C18H32ClNO2
Molecular Weight:
329.9052
IUPAC Name:
1-decoxy-3-pyridin-1-ium-1-ylpropan-2-ol;chloride
InChI:
InChI=1S/C18H32NO2.ClH/c1-2-3-4-5-6-7-8-12-15-21-17-18(20)16-19-13-10-9-11-14-19;/h9-11,13-14,18,20H,2-8,12,15-17H2,1H3;1H/q+1;/p-1
InChI Key:
PWPSDFSEBDDADB-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCOCC(C[n+]1ccccc1)O.[Cl-]
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.212g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.909g/mol
Monoisotopic Mass:
329.212g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
33.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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