N-ethenylformamide

• ChemBase ID: 151035
• Molecular Formular: C3H5NO
• Molecular Mass: 71.0779
• Monoisotopic Mass: 71.03711379
• SMILES: C=CNC=O
• Canonical SMILES: C=CNC=O
• InChI: InChI=1S/C3H5NO/c1-2-4-3-5/h2-3H,1H2,(H,4,5)
• InChIKey: ZQXSMRAEXCEDJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethenylformamide
• IUPAC Traditional name: N-ethenylformamide
• Synonyms: N-Vinylformamide; N-乙烯基甲酰胺

Database IDs

• CAS Number: 13162-05-5
• MDL Number: MFCD00081206
• PubChem SID: 24868334; 162245194
• PubChem CID: 83191

CALCULATED PROPERTIES

• Acid pKa: 14.447113
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.35063657
• LogD (pH = 7.4): -0.3506366
• Log P: -0.35063657
• Molar Refractivity: 18.5643 cm^3
• Polarizability: 7.2341156 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -16 °C(lit.)
• Boiling Point: 210 °C(lit.)
• Flash Point: 102 °C; 215.6 °F
• Density: 1.014 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.494(lit.)
• Vapor Pressure: ~0.1 mmHg ( 25 °C)

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 61-22-37/38-41
• Safety Statements: 53-26-39-45
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335-H360D
• GHS Precautionary statements: P201-P261-P280-P305 + P351 + P338-P308 + P313
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Contains: 25-55 ppm 4-Hydroxy-TEMPO as stabilizer
• Linear Formula: HCONHCH=CH2

DETAILS

Sigma Aldrich - 447331

Packaging
100, 500 mL in glass bottle