5-Nitro-2-Piperidin-1-Yl-Benzoic Acid
[CAS# 42106-50-3]

Identification

• Name: 5-Nitro-2-Piperidin-1-Yl-Benzoic Acid
• Synonyms: 5-Nitro-2-(1-Piperidyl)Benzoate; 5-Nitro-2-Piperidino-Benzoate; 5-Nitro-2-Piperidin-1-Yl-Benzoate
• Molecular Formula: C₁₂H₁₃N₂O₄
• Molecular Weight: 249.25
• CAS Registry Number: 42106-50-3
• SMILES: C1=CC(=CC(=C1N2CCCCC2)C([O-])=O)[N+]([O-])=O
• InChI: 1S/C12H14N2O4/c15-12(16)10-8-9(14(17)18)4-5-11(10)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,15,16)/p-1
• InChIKey: BJFMTEPHRNENIO-UHFFFAOYSA-M

Properties

• Boiling point: 455.292°C at 760 mmHg (Cal.)
• Flash point: 229.153°C (Cal.)