N-ethenyl-N-methylacetamide

• ChemBase ID: 149327
• Molecular Formular: C5H9NO
• Molecular Mass: 99.13106
• Monoisotopic Mass: 99.06841391
• SMILES: CC(=O)N(C)C=C
• Canonical SMILES: CN(C(=O)C)C=C
• InChI: InChI=1S/C5H9NO/c1-4-6(3)5(2)7/h4H,1H2,2-3H3
• InChIKey: PNLUGRYDUHRLOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethenyl-N-methylacetamide
• IUPAC Traditional name: acetamide, N-ethenyl-N-methyl-
• Synonyms: N-Methyl-N-vinylacetamide; N-Ethenyl-N-methylacetamide; N-Methylvinylacetamide; N-Vinyl-N-methylacetamide; N-Methyl-N-vinylacetamide; N-甲基-N-乙烯基乙酰胺

Database IDs

• CAS Number: 3195-78-6
• EC Number: 221-698-5
• MDL Number: MFCD00008687
• Beilstein Number: 1743331
• PubChem SID: 24855290; 162243494
• PubChem CID: 18530

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.0782618
• LogD (pH = 7.4): -0.0782618
• Log P: -0.0782618
• Molar Refractivity: 27.9515 cm^3
• Polarizability: 10.906219 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Ethyl Acetate; Methanol
• Apperance: Pale-Yellow Liquid
• Boiling Point: 163-165°C; 70 °C/25 mmHg(lit.)
• Flash Point: 136.4 °F; 58 °C
• Density: 0.959 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.484(lit.)

Safety Information

• RTECS: AC6475000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 1993
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 21/22-36/37/38
• Safety Statements: 26-36/37
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H312-H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 98%
• Linear Formula: CH3CON(CH3)CH=CH2

DETAILS

Sigma Aldrich - 255130

Packaging
100, 500 mL in glass bottle