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114260-95-6 | Pyridinium, 3-(aminocarbonyl)-2-methyl-1-(phenylmethyl)-
CAS No: 114260-95-6 Catalog No: AG000AX7 MDL No:
Product Description
Catalog Number:
AG000AX7
Chemical Name:
Pyridinium, 3-(aminocarbonyl)-2-methyl-1-(phenylmethyl)-
CAS Number:
114260-95-6
Molecular Formula:
C14H15N2O+
Molecular Weight:
227.2817
IUPAC Name:
1-benzyl-2-methylpyridin-1-ium-3-carboxamide
InChI:
InChI=1S/C14H14N2O/c1-11-13(14(15)17)8-5-9-16(11)10-12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H-,15,17)/p+1
InChI Key:
MXRUHKRDRIVRQM-UHFFFAOYSA-O
SMILES:
NC(=O)c1ccc[n+](c1C)Cc1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.118g/mol
Formal Charge:
1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.287g/mol
Monoisotopic Mass:
227.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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