2-methylpropanediamide

• ChemBase ID: 302141
• Molecular Formular: C4H8N2O2
• Molecular Mass: 116.11852
• Monoisotopic Mass: 116.05857751
• SMILES: CC(C(=O)N)C(=O)N
• Canonical SMILES: CC(C(=O)N)C(=O)N
• InChI: InChI=1S/C4H8N2O2/c1-2(3(5)7)4(6)8/h2H,1H3,(H2,5,7)(H2,6,8)
• InChIKey: CGRKYGKHZOCPSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpropanediamide
• IUPAC Traditional name: 2-methylpropanediamide
• Synonyms: 2-Methylmalonamide; 2-甲基丙二酰胺

Database IDs

• CAS Number: 1113-63-9
• MDL Number: MFCD00043625
• Beilstein Number: 1756100

CALCULATED PROPERTIES

• Acid pKa: 13.271399
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4020163
• LogD (pH = 7.4): -1.4020168
• Log P: -1.4020162
• Molar Refractivity: 27.2067 cm^3
• Polarizability: 10.616618 Å^3
• Polar Surface Area: 86.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 208-210°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%