3-(4-Methyl-Piperazine-1-Carbonyl)-Bicyclo[2.2.1]Hept-5-Ene-2-Carboxylic Acid
[CAS# 436811-00-6]

Identification

• Name: 3-(4-Methyl-Piperazine-1-Carbonyl)-Bicyclo[2.2.1]Hept-5-Ene-2-Carboxylic Acid
• Synonyms: (1S,4R,5S,6R)-6-[(4-Methyl-1-Piperazin-4-Iumyl)-Oxomethyl]-5-Bicyclo[2.2.1]Hept-2-Enecarboxylate; (1S,4R,5S,6R)-6-(4-Methylpiperazin-4-Ium-1-Yl)Carbonylbicyclo[2.2.1]Hept-2-Ene-5-Carboxylate; Zinc02379735
• Molecular Formula: C₁₄H₂₀N₂O₃
• Molecular Weight: 264.32
• CAS Registry Number: 436811-00-6
• SMILES: [C@@H]1([C@H]([C@@H]2C[C@H]1C=C2)C([O-])=O)C(=O)N3CC[NH+](CC3)C
• InChI: 1S/C14H20N2O3/c1-15-4-6-16(7-5-15)13(17)11-9-2-3-10(8-9)12(11)14(18)19/h2-3,9-12H,4-8H2,1H3,(H,18,19)/t9-,10+,11-,12+/m1/s1
• InChIKey: UOVMFIQDEOSINK-KXNHARMFSA-N

Properties

• Density: 1.279g/cm³ (Cal.)
• Boiling point: 469.953°C at 760 mmHg (Cal.)
• Flash point: 238.019°C (Cal.)