| CAS Number | 1438382-15-0 |
| Catalog Number | AG001IGO |
| Chemical Name | 2(1H)-Pyridinone, 3-(aminomethyl)-4-methoxy-6-methyl- |
| IUPAC Name | 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one |
| InChI | InChI=1S/C8H12N2O2/c1-5-3-7(12-2)6(4-9)8(11)10-5/h3H,4,9H2,1-2H3,(H,10,11) |
| InChI Key | DOEQLKDKJVHZND-UHFFFAOYSA-N |
| MDL Number | MFCD29477778 |
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.1931 |
| SMILES | NCC=1C(NC(=CC1OC)C)=O |
| Synonyms | 3-(Aminomethyl)-4-methoxy-6-methylpyridin-2-ol,
1438382-15-0,
3-(aminomethyl)-4-methoxy-6-methylpyridin-2(1H)-one,
SCHEMBL14966469,
DOEQLKDKJVHZND-UHFFFAOYSA-N,
MFCD27952025,
AKOS027252081,
AKOS032961305,
ZINC146776864,
SB21248,
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one,
3-(aminomethyl)-4-methoxy-6-methyl-1,2-dihydropyridin-2-one,
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| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.196g/mol |
| Monoisotopic Mass | 168.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number