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1450662-30-2 | 2(1H)-Pyridinone, 3-(aminomethyl)-4-methoxy-6-methyl-, hydrochloride (1:1)
CAS No: 1450662-30-2 Catalog No: AG001KII MDL No:
Product Description
Catalog Number:
AG001KII
Chemical Name:
2(1H)-Pyridinone, 3-(aminomethyl)-4-methoxy-6-methyl-, hydrochloride (1:1)
CAS Number:
1450662-30-2
Molecular Formula:
C8H13ClN2O2
Molecular Weight:
204.6540
IUPAC Name:
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;hydrochloride
InChI:
InChI=1S/C8H12N2O2.ClH/c1-5-3-7(12-2)6(4-9)8(11)10-5;/h3H,4,9H2,1-2H3,(H,10,11);1H
InChI Key:
ZBAMKZKIRUUXSL-UHFFFAOYSA-N
SMILES:
COc1cc(C)[nH]c(=O)c1CN.Cl
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
204.654g/mol
Monoisotopic Mass:
204.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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