N-ethylformamide

• ChemBase ID: 158180
• Molecular Formular: C3H7NO
• Molecular Mass: 73.09378
• Monoisotopic Mass: 73.05276385
• SMILES: CCNC=O
• Canonical SMILES: CCNC=O
• InChI: InChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)
• InChIKey: KERBAAIBDHEFDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylformamide
• IUPAC Traditional name: N-formylethylamine
• Synonyms: N-Formylethylamine; N-Ethylformamide; N-甲酰乙胺; N-乙基甲酰胺

Database IDs

• CAS Number: 627-45-2
• EC Number: 211-001-2
• MDL Number: MFCD00042672
• Beilstein Number: 1737860
• PubChem SID: 162252316; 24845624
• PubChem CID: 12319

CALCULATED PROPERTIES

• Acid pKa: 16.599487
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.49850333
• LogD (pH = 7.4): -0.49850303
• Log P: -0.49850303
• Molar Refractivity: 19.6207 cm^3
• Polarizability: 7.48225 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 202-204 °C
• Flash Point: 113 °C; 235.4 °F
• Density: 0.950 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.432

Safety Information

• RTECS: LQ2725000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥99.0% (GC)
• Linear Formula: HCONHC2H5