1-amino-4,6-dimethyl-1,2-dihydropyridin-2-one

• ChemBase ID: 144116
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: Cc1cc(n(c(=O)c1)N)C
• Canonical SMILES: Cc1cc(C)n(c(=O)c1)N
• InChI: InChI=1S/C7H10N2O/c1-5-3-6(2)9(8)7(10)4-5/h3-4H,8H2,1-2H3
• InChIKey: YNOHPNCZMTZNPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-4,6-dimethyl-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 1-amino-4,6-dimethylpyridin-2-one
• Synonyms: 1-Amino-4,6-dimethylpyridin-2(1H)-one; 1-amino-4,6-dimethylpyridin-2(1H)-one

Database IDs

• CAS Number: 98334-40-8
• MDL Number: MFCD02105457
• PubChem SID: 162238333
• PubChem CID: 703657

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.16277023
• LogD (pH = 7.4): 0.16578166
• Log P: 0.1658202
• Molar Refractivity: 42.6305 cm^3
• Polarizability: 15.046263 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C7H10N2O

DETAILS

Sigma Aldrich - CBR00430

Other Notes
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Legal Information
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