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88518-54-1 | 4(1H)-Pyridinone, 2-amino-6-methyl-3-(phenylmethyl)-
CAS No: 88518-54-1 Catalog No: AG0048JK MDL No:
Product Description
Catalog Number:
AG0048JK
Chemical Name:
4(1H)-Pyridinone, 2-amino-6-methyl-3-(phenylmethyl)-
CAS Number:
88518-54-1
Molecular Formula:
C13H14N2O
Molecular Weight:
214.2631
IUPAC Name:
2-amino-3-benzyl-6-methyl-1H-pyridin-4-one
InChI:
InChI=1S/C13H14N2O/c1-9-7-12(16)11(13(14)15-9)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H3,14,15,16)
InChI Key:
GAEVTSJLNQOZDA-UHFFFAOYSA-N
SMILES:
O=c1cc(C)[nH]c(c1Cc1ccccc1)N
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.268g/mol
Monoisotopic Mass:
214.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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