6-(4-Methyl-Piperazine-1-Carbonyl)-Cyclohex-3-Enecarboxylic Acid
[CAS# 436087-12-6]

Identification

• Name: 6-(4-Methyl-Piperazine-1-Carbonyl)-Cyclohex-3-Enecarboxylic Acid
• Synonyms: (1R,6S)-6-[(4-Methyl-1-Piperazin-4-Iumyl)-Oxomethyl]-1-Cyclohex-3-Enecarboxylate; (1R,6S)-6-(4-Methylpiperazin-4-Ium-1-Yl)Carbonylcyclohex-3-Ene-1-Carboxylate; Zinc00339414
• Molecular Formula: C₁₃H₂₀N₂O₃
• Molecular Weight: 252.31
• CAS Registry Number: 436087-12-6
• SMILES: [C@H]1([C@H](C([O-])=O)CC=CC1)C(=O)N2CC[NH+](CC2)C
• InChI: 1S/C13H20N2O3/c1-14-6-8-15(9-7-14)12(16)10-4-2-3-5-11(10)13(17)18/h2-3,10-11H,4-9H2,1H3,(H,17,18)/t10-,11+/m0/s1
• InChIKey: YSXCAKJMKCEGPG-WDEREUQCSA-N

Properties

• Density: 1.214g/cm³ (Cal.)
• Boiling point: 452.043°C at 760 mmHg (Cal.)
• Flash point: 227.187°C (Cal.)