1,3-Bis(piperidinomethyl)phenobarbital
[CAS# 23192-91-8]

Identification

• Name: 1,3-Bis(piperidinomethyl)phenobarbital
• Synonyms: 5-Ethyl-5-Phenyl-1,3-Bis(1-Piperidylmethyl)Hexahydropyrimidine-2,4,6-Trione; 5-Ethyl-5-Phenyl-1,3-Bis(Piperidinomethyl)Barbituric Acid; 1,3-Bpp
• Molecular Formula: C₂₄H₃₄N₄O₃
• Molecular Weight: 426.56
• CAS Registry Number: 23192-91-8
• SMILES: C4=C(C1(C(N(C(N(C1=O)CN2CCCCC2)=O)CN3CCCCC3)=O)CC)C=CC=C4
• InChI: 1S/C24H34N4O3/c1-2-24(20-12-6-3-7-13-20)21(29)27(18-25-14-8-4-9-15-25)23(31)28(22(24)30)19-26-16-10-5-11-17-26/h3,6-7,12-13H,2,4-5,8-11,14-19H2,1H3
• InChIKey: JDPUAECPKWLADB-UHFFFAOYSA-N

Properties

• Density: 1.183g/cm³ (Cal.)
• Boiling point: 539.479°C at 760 mmHg (Cal.)
• Flash point: 213.838°C (Cal.)