N,N'-dimethylethanediamide

• ChemBase ID: 82733
• Molecular Formular: C4H8N2O2
• Molecular Mass: 116.11852
• Monoisotopic Mass: 116.05857751
• SMILES: O=C(C(=O)NC)NC
• Canonical SMILES: CNC(=O)C(=O)NC
• InChI: InChI=1S/C4H8N2O2/c1-5-3(7)4(8)6-2/h1-2H3,(H,5,7)(H,6,8)
• InChIKey: IPZCJUOJSODZNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-dimethylethanediamide
• IUPAC Traditional name: N,N'-dimethyloxalamide
• Synonyms: N,N'-DIMETHYLOXAMIDE; N1,N2-dimethyloxalamide; N,N'-Dimethyloxamide; N1,N2-dimethylethanediamide; N,N′-Dimethyloxamide; N,N'-二甲基草酰胺; N,N′-二甲基草酰胺

Database IDs

• CAS Number: 615-35-0
• EC Number: 210-420-8
• MDL Number: MFCD00025634
• Beilstein Number: 1753961
• PubChem SID: 24893523; 162069852
• PubChem CID: 69204

CALCULATED PROPERTIES

• Acid pKa: 13.639311
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4302846
• LogD (pH = 7.4): -1.4302849
• Log P: -1.4302846
• Molar Refractivity: 27.8764 cm^3
• Polarizability: 10.616618 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 214-217 °C(lit.); 215-217°C

Safety Information

• German water hazard class: 3
• TSCA Listed: 否

Product Information

• Purity: 98%
• Linear Formula: CH3NHCOCONHCH3

DETAILS

MP Biomedicals - 05211657

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D173053

Packaging
5 g in glass bottle