| CAS Number | 70449-23-9 |
| Catalog Number | AG00IC2C(AGN-PC-0WCKG5) |
| Chemical Name | 5-(Aminomethyl)-1-methyl-2(1h)-pyridinone |
| IUPAC Name | 5-(aminomethyl)-1-methylpyridin-2-one |
| InChI | InChI=1S/C7H10N2O/c1-9-5-6(4-8)2-3-7(9)10/h2-3,5H,4,8H2,1H3 |
| InChI Key | VEJGZLGNXFRQBP-UHFFFAOYSA-N |
| MDL Number | MFCD16556171 |
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.1671 |
| SMILES | CN1C(=O)C=CC(CN)=C1 |
| Synonyms | 70449-23-9,
5-(AMINOMETHYL)-1-METHYL-2(1H)-PYRIDINONE,
5-(Aminomethyl)-1-methylpyridin-2(1H)-one,
5-(AMINOMETHYL)-1-METHYL-1,2-DIHYDROPYRIDIN-2-ONE,
5-aminomethyl-1-methyl-1H-pyridin-2-one,
SCHEMBL12095184,
ZINC82522290,
AKOS006339029,
PB15234,
CS-0055159,
Q-3131,
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| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.17g/mol |
| Monoisotopic Mass | 138.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
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Certificate of Analysis
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