N,N-diethylacetamide

• ChemBase ID: 107213
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: CCN(CC)C(=O)C
• Canonical SMILES: CCN(C(=O)C)CC
• InChI: InChI=1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3
• InChIKey: AJFDBNQQDYLMJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethylacetamide
• IUPAC Traditional name: diethylacetamide
• Synonyms: N,N-DIETHYLACETAMIDE; Acetic acid diethylamide; N,N-Diethylacetamide; 乙酸二乙基胺; N,N-二乙基乙酰胺

Database IDs

• CAS Number: 685-91-6
• EC Number: 211-685-2
• MDL Number: MFCD00009047
• Beilstein Number: 1209428
• PubChem SID: 162093347; 24848334
• PubChem CID: 12703

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.13067967
• LogD (pH = 7.4): 0.13067971
• Log P: 0.13067971
• Molar Refractivity: 33.7565 cm^3
• Polarizability: 12.988816 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 182-186 °C(lit.); 182-186°C
• Flash Point: 168.8 °F; 76 °C; 76°C(169°F)
• Density: 0.92; 0.925 g/mL at 25 °C(lit.)
• Refractive Index: 1.4400; n20/D 1.440; n20/D 1.440(lit.)
• Hydrophobicity(logP): 0.256

Safety Information

• RTECS: AB7000000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-36/37/38; 22-36/38
• Safety Statements: 26-27-36/37/39-45; 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335; H302-H315-H319-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A; 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

Product Information

• Purity: ≥97.0% (GC); 95%; 97%; 98%; 99%
• Grade: purum
• Linear Formula: CH3CON(C2H5)2

DETAILS

MP Biomedicals - 05202939

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 137529

Packaging
5, 100 g in glass bottle