4-amino-1-methyl-1,2-dihydropyridin-2-one

• ChemBase ID: 63094
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1n(c(=O)cc(c1)N)C
• Canonical SMILES: Nc1ccn(c(=O)c1)C
• InChI: InChI=1S/C6H8N2O/c1-8-3-2-5(7)4-6(8)9/h2-4H,7H2,1H3
• InChIKey: CRGNLDFNDMPVBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-1-methyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 4-amino-1-methylpyridin-2-one
• Synonyms: 4-Amino-1-methyl-pyridin-2-one

Database IDs

• CAS Number: 952182-01-3
• MDL Number: MFCD09832890
• PubChem SID: 162028833
• PubChem CID: 13378000

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7957446
• LogD (pH = 7.4): -0.79565763
• Log P: -0.7956565
• Molar Refractivity: 36.4918 cm^3
• Polarizability: 12.922327 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%