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115685-20-6 | Pyridinium, 1-[(dimethylamino)carbonyl]-
CAS No: 115685-20-6 Catalog No: AG000GRI MDL No:
Product Description
Catalog Number:
AG000GRI
Chemical Name:
Pyridinium, 1-[(dimethylamino)carbonyl]-
CAS Number:
115685-20-6
Molecular Formula:
C8H11N2O+
Molecular Weight:
151.1857
IUPAC Name:
N,N-dimethylpyridin-1-ium-1-carboxamide
InChI:
InChI=1S/C8H11N2O/c1-9(2)8(11)10-6-4-3-5-7-10/h3-7H,1-2H3/q+1
InChI Key:
RCGNHGCURFGYGT-UHFFFAOYSA-N
SMILES:
CN(C(=O)[n+]1ccccc1)C
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.087g/mol
Formal Charge:
1
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.189g/mol
Monoisotopic Mass:
151.087g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Literature
| Title | Journal |
|---|---|
| The pyridine ring of NAD is formed by a nonenzymatic pericyclic reaction. | Journal of the American Chemical Society 20050126 |
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