propanamide

• ChemBase ID: 3780
• Molecular Formular: C3H7NO
• Molecular Mass: 73.09378
• Monoisotopic Mass: 73.05276385
• SMILES: CCC(=O)N
• Canonical SMILES: CCC(=O)N
• InChI: InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
• InChIKey: QLNJFJADRCOGBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propanamide
• IUPAC Traditional name: propionamide
• Synonyms: Propanamide; Propylamide; Propionamide; Propionamide; propanamide; 正丙酰胺; 丙酰胺

Database IDs

• CAS Number: 79-05-0
• EC Number: 201-172-1
• MDL Number: MFCD00008039
• Merck Index: 147824
• PubChem SID: 46508480; 24848618; 160967217
• PubChem CID: 6578

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.86181
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.3297525
• LogD (pH = 7.4): -0.32975248
• Log P: -0.32975248
• Molar Refractivity: 19.0928 cm^3
• Polarizability: 7.48225 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -0.65
• LOG S: 0.7
• Solubility (Water): 3.64e+02 g/l

PROPERTIES

Physical Property

• Melting Point: 76-79 °C(lit.); 76-79°C; 80 - 83°C
• Boiling Point: 213 °C(lit.); 213°C
• Density: 1.042; 1.042 g/mL at 25 °C(lit.)
• Hydrophobicity(logP): -0.585

Safety Information

• RTECS: UE2975000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302

Product Information

• Purity: 95%; 97%; 98%
• Linear Formula: CH3CH2CONH2

DETAILS

MP Biomedicals - 05218200

MP Biomedicals Rare Chemical collection

DrugBank - DB04161

Drug information: experimental

Sigma Aldrich - 143936

Packaging
25, 100 g in poly bottle