N-ethylacetamide

• ChemBase ID: 82966
• Molecular Formular: C4H9NO
• Molecular Mass: 87.12036
• Monoisotopic Mass: 87.06841391
• SMILES: O=C(NCC)C
• Canonical SMILES: CCNC(=O)C
• InChI: InChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)
• InChIKey: PMDCZENCAXMSOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethylacetamide
• IUPAC Traditional name: acetamide, N-ethyl-
• Synonyms: N-Ethylacetamide; N-ACETYLETHYLAMINE; N-ethylacetamide; N-乙基乙酰胺

Database IDs

• CAS Number: 625-50-3
• EC Number: 210-896-7
• MDL Number: MFCD00009029
• Beilstein Number: 969292
• PubChem SID: 24848552; 162070085
• PubChem CID: 12253

CALCULATED PROPERTIES

• Acid pKa: 16.457945
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.44980434
• LogD (pH = 7.4): -0.4498043
• Log P: -0.4498043
• Molar Refractivity: 24.1112 cm^3
• Polarizability: 9.313932 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -32°C
• Boiling Point: 206-208°C; 90-92 °C/8 mmHg(lit.)
• Flash Point: 106°C(222°F); 107 °C; 224.6 °F
• Density: 0.924; 0.924 g/mL at 25 °C(lit.)
• Refractive Index: 1.4330; n20/D 1.433(lit.)

Safety Information

• RTECS: AB8500000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302

Product Information

• Purity: 99%
• Linear Formula: CH3CONHC2H5

DETAILS

MP Biomedicals - 05202383

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 147400

Packaging
25 g in glass bottle