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51301-35-0 | [3-cyano-6-hydroxy-4-methyl-2-oxo-(2H)-pyridine-1-propyl](trimethyl)ammonium methyl sulphate
CAS No: 51301-35-0 Catalog No: AG00DRF8 MDL No:
Product Description
Catalog Number:
AG00DRF8
Chemical Name:
[3-cyano-6-hydroxy-4-methyl-2-oxo-(2H)-pyridine-1-propyl](trimethyl)ammonium methyl sulphate
CAS Number:
51301-35-0
IUPAC Name:
1-[3-(dimethylamino)propyl]-2-hydroxy-1,4-dimethyl-6-oxopyridin-1-ium-3-carbonitrile;methyl sulfate
InChI:
InChI=1S/C13H19N3O2.CH4O4S/c1-10-8-12(17)16(4,7-5-6-15(2)3)13(18)11(10)9-14;1-5-6(2,3)4/h8H,5-7H2,1-4H3;1H3,(H,2,3,4)
InChI Key:
JCZUTKLHDIXZRJ-UHFFFAOYSA-N
EC Number:
257-121-9
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.131g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.413g/mol
Monoisotopic Mass:
361.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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