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771579-27-2 | 3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one
CAS No: 771579-27-2 Catalog No: AG0039OY MDL No:MFCD06213260
Product Description
Catalog Number:
AG0039OY
Chemical Name:
3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one
CAS Number:
771579-27-2
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
MDL Number:
MFCD06213260
IUPAC Name:
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one
InChI:
InChI=1S/C8H12N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,4,9H2,1-2H3,(H,10,11)
InChI Key:
PCJPGNCABBDNJU-UHFFFAOYSA-N
SMILES:
Cc1cc(C)[nH]c(=O)c1CN
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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