N,N-diethylpropanamide

• ChemBase ID: 149092
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: CCC(=O)N(CC)CC
• Canonical SMILES: CCC(=O)N(CC)CC
• InChI: InChI=1S/C7H15NO/c1-4-7(9)8(5-2)6-3/h4-6H2,1-3H3
• InChIKey: YKOQQFDCCBKROY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethylpropanamide
• IUPAC Traditional name: propanamide, N,N-diethyl-
• Synonyms: N,N-Diethylpropionamide; N,N-二乙基丙酰胺

Database IDs

• CAS Number: 1114-51-8
• MDL Number: MFCD00009302
• PubChem SID: 24858263; 162243260
• PubChem CID: 66191

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.8312149
• LogD (pH = 7.4): 0.83121556
• Log P: 0.83121556
• Molar Refractivity: 38.3834 cm^3
• Polarizability: 14.829458 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 77 °C/12 mmHg(lit.)
• Flash Point: 163.4 °F; 73 °C
• Density: 0.897 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.442(lit.)

Safety Information

• RTECS: UE3567500
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22
• Safety Statements: 36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332
• GHS Precautionary statements: P280
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 99%
• Linear Formula: C2H5CON(C2H5)2

DETAILS

Sigma Aldrich - 302570

Packaging
5 g in glass bottle