4-(Hexahydro-1H-Azepin-1-Yl)-3-Nitro-Benzoic Acid
[CAS# 92109-03-0]

Identification

• Name: 4-(Hexahydro-1H-Azepin-1-Yl)-3-Nitro-Benzoic Acid
• Synonyms: 4-(Azepan-1-Yl)-3-Nitro-Benzoate; 4-(1-Azepanyl)-3-Nitrobenzoate; Zinc03884578
• Molecular Formula: C₁₃H₁₅N₂O₄
• Molecular Weight: 263.27
• CAS Registry Number: 92109-03-0
• SMILES: C1=CC(=CC(=C1N2CCCCCC2)[N+]([O-])=O)C([O-])=O
• InChI: 1S/C13H16N2O4/c16-13(17)10-5-6-11(12(9-10)15(18)19)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,16,17)/p-1
• InChIKey: NLOLIKPXLGXANL-UHFFFAOYSA-M

Properties

• Boiling point: 462.041°C at 760 mmHg (Cal.)
• Flash point: 233.234°C (Cal.)