N,N-dimethylpropanamide

• ChemBase ID: 74501
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: O=C(N(C)C)CC
• Canonical SMILES: CCC(=O)N(C)C
• InChI: InChI=1S/C5H11NO/c1-4-5(7)6(2)3/h4H2,1-3H3
• InChIKey: MBHINSULENHCMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylpropanamide
• IUPAC Traditional name: propanamide, N,N-dimethyl-
• Synonyms: N,N-Dimethylpropionamide; N,N-Dimethylpropionamide; N,N-二甲基丙酰胺

Database IDs

• CAS Number: 758-96-3
• EC Number: 212-064-9
• MDL Number: MFCD00009301
• PubChem SID: 162039420; 24855246
• PubChem CID: 12965

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.11759937
• LogD (pH = 7.4): 0.117599644
• Log P: 0.11759965
• Molar Refractivity: 28.8862 cm^3
• Polarizability: 11.1500025 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -45 °C(lit.)
• Boiling Point: 174-175 °C(lit.)
• Flash Point: 143.6 °F; 62 °C
• Density: 0.92 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.44(lit.)

Safety Information

• RTECS: UE3810000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 98%
• Linear Formula: C2H5CON(CH3)2

DETAILS

Sigma Aldrich - 252875

Packaging
25, 100 g in glass bottle