N-methylacetamide

• ChemBase ID: 109263
• Molecular Formular: C3H7NO
• Molecular Mass: 73.09378
• Monoisotopic Mass: 73.05276385
• SMILES: CNC(=O)C
• Canonical SMILES: CNC(=O)C
• InChI: InChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)
• InChIKey: OHLUUHNLEMFGTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylacetamide
• IUPAC Traditional name: N-methylacetamide
• Synonyms: N-methylacetamide; N-Acetylmethylamine; ACETYLMETHYLAMINE; Acetylmethylamine; N-Methylacetamide; 乙酰甲基胺; N-甲基乙酰胺

Database IDs

• CAS Number: 79-16-3
• EC Number: 201-182-6
• MDL Number: MFCD00008683
• Beilstein Number: 1071255
• PubChem SID: 24896748; 24884026; 162095002
• PubChem CID: 6582

CALCULATED PROPERTIES

• Acid pKa: 16.466064
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8066123
• LogD (pH = 7.4): -0.80661225
• Log P: -0.80661225
• Molar Refractivity: 19.3626 cm^3
• Polarizability: 7.48225 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 26-28 °C(lit.); 26-28°C; 26-28°C
• Boiling Point: 204-206 °C(lit.); 204-206°C; 204-206°C
• Flash Point: 116°C(240°F)
• Density: 0.957; 0.957 g/ml; 0.957 g/mL at 25 °C(lit.)
• Refractive Index: 1.4330; n20/D 1.433(lit.)
• Hydrophobicity(logP): -1.078

Safety Information

• RTECS: AC5960000
• European Hazard Symbols: Toxic (T)
• German water hazard class: 2
• Risk Statements: 61
• Safety Statements: 53-45
• TSCA Listed: 是
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H360; H360D
• GHS Precautionary statements: P201-P308 + P313; P281-P201-P202-P308+P313-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Product Information

• Purity: ≥98.0% (GC); ≥99%; 95%; 99%
• Grade: purum
• Linear Formula: CH3CONHCH3

DETAILS

MP Biomedicals - 05210381

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M26305

Packaging
5, 100, 500 g in glass bottle