N,N'-diethylethanediamide

• ChemBase ID: 295919
• Molecular Formular: C6H12N2O2
• Molecular Mass: 144.17168
• Monoisotopic Mass: 144.08987763
• SMILES: CCNC(=O)C(=O)NCC
• Canonical SMILES: CCNC(=O)C(=O)NCC
• InChI: InChI=1S/C6H12N2O2/c1-3-7-5(9)6(10)8-4-2/h3-4H2,1-2H3,(H,7,9)(H,8,10)
• InChIKey: FFYAVOJIYAAUNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-diethylethanediamide
• IUPAC Traditional name: N,N'-diethyl-oxalamide
• Synonyms: N,N'-Diethyloxamide; N,N'-二乙基草酰胺

Database IDs

• CAS Number: 615-84-9
• EC Number: 210-451-7
• MDL Number: MFCD00043650
• PubChem SID: 180681450
• PubChem CID: 69210

CALCULATED PROPERTIES

• Acid pKa: 13.379968
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.7166688
• LogD (pH = 7.4): -0.71666914
• Log P: -0.7166688
• Molar Refractivity: 37.3736 cm^3
• Polarizability: 14.254132 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178-182°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%