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1173081-96-3 | 2(1H)-Pyridinone, 3-(aminomethyl)-4,6-dimethyl-, hydrochloride (1:1)
CAS No: 1173081-96-3 Catalog No: AG000E38 MDL No:MFCD09053337
Product Description
Catalog Number:
AG000E38
Chemical Name:
2(1H)-Pyridinone, 3-(aminomethyl)-4,6-dimethyl-, hydrochloride (1:1)
CAS Number:
1173081-96-3
Molecular Formula:
C8H13ClN2O
Molecular Weight:
188.6546
MDL Number:
MFCD09053337
IUPAC Name:
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;hydrochloride
InChI:
InChI=1S/C8H12N2O.ClH/c1-5-3-6(2)10-8(11)7(5)4-9;/h3H,4,9H2,1-2H3,(H,10,11);1H
InChI Key:
ZMDPNGUJHPRAMG-UHFFFAOYSA-N
SMILES:
Cc1cc(C)[nH]c(=O)c1CN.Cl
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
188.655g/mol
Monoisotopic Mass:
188.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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