Pitenodil
[CAS# 59840-71-0]

Identification

• Name: Pitenodil
• Synonyms: 2-[4-[4-Oxo-4-(2-Thienyl)Butyl]Piperazin-1-Yl]Ethyl N,N-Dimethylcarbamate; N,N-Dimethylcarbamic Acid 2-[4-[4-Oxo-4-(2-Thienyl)Butyl]-1-Piperazinyl]Ethyl Ester; N,N-Dimethylcarbamic Acid 2-[4-[4-Keto-4-(2-Thienyl)Butyl]Piperazin-1-Yl]Ethyl Ester
• Molecular Formula: C₁₇H₂₇N₃O₃S
• Molecular Weight: 353.48
• CAS Registry Number: 59840-71-0
• SMILES: C2=C(C(CCCN1CCN(CCOC(N(C)C)=O)CC1)=O)SC=C2
• InChI: 1S/C17H27N3O3S/c1-18(2)17(22)23-13-12-20-10-8-19(9-11-20)7-3-5-15(21)16-6-4-14-24-16/h4,6,14H,3,5,7-13H2,1-2H3
• InChIKey: KODWJTJZIKCBSV-UHFFFAOYSA-N

Properties

• Density: 1.156g/cm³ (Cal.)
• Boiling point: 485.521°C at 760 mmHg (Cal.)
• Flash point: 247.434°C (Cal.)