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116109-40-1 | 4,4'-Bipyridinium, 1-[2-(methylamino)-2-oxoethyl]-, chloride (1:1)
CAS No: 116109-40-1 Catalog No: AG000BNH MDL No:
Product Description
Catalog Number:
AG000BNH
Chemical Name:
4,4'-Bipyridinium, 1-[2-(methylamino)-2-oxoethyl]-, chloride (1:1)
CAS Number:
116109-40-1
Molecular Formula:
C13H15ClN3O+
Molecular Weight:
264.7307
IUPAC Name:
N-methyl-2-(4-pyridin-1-ium-4-ylpyridin-1-ium-1-yl)acetamide;dichloride
InChI:
InChI=1S/C13H13N3O.2ClH/c1-14-13(17)10-16-8-4-12(5-9-16)11-2-6-15-7-3-11;;/h2-9H,10H2,1H3;2*1H
InChI Key:
UVNZKELOQYSDMC-UHFFFAOYSA-N
SMILES:
CNC(=O)C[n+]1ccc(cc1)c1cc[nH+]cc1.[Cl-]
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.183g/mol
Monoisotopic Mass:
299.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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