N-methylpropanamide

• ChemBase ID: 150648
• Molecular Formular: C4H9NO
• Molecular Mass: 87.12036
• Monoisotopic Mass: 87.06841391
• SMILES: CCC(=O)NC
• Canonical SMILES: CCC(=O)NC
• InChI: InChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)
• InChIKey: QJQAMHYHNCADNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylpropanamide
• IUPAC Traditional name: N-methyl propionamide
• Synonyms: N-Methylpropionamide; N-甲基丙酰胺

Database IDs

• CAS Number: 1187-58-2
• EC Number: 214-699-7
• MDL Number: MFCD00009300
• Beilstein Number: 1737640
• PubChem SID: 162244809; 24857494
• PubChem CID: 14470

CALCULATED PROPERTIES

• Acid pKa: 16.51802
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.1060766
• LogD (pH = 7.4): -0.10607642
• Log P: -0.10607641
• Molar Refractivity: 23.9895 cm^3
• Polarizability: 9.313932 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -43 °C(lit.)
• Boiling Point: 146 °C/90 mmHg(lit.)
• Flash Point: 106 °C; 222.8 °F
• Density: 0.931 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.436(lit.); n20/D 1.437

Safety Information

• RTECS: UE4515000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 98%
• Grade: purum
• Linear Formula: CH3CH2CONHCH3

DETAILS

Sigma Aldrich - 290874

Packaging
5, 25 g in glass bottle