Hexamethylenimine 3-nitrobenzoate
[CAS# 7270-73-7]

Identification

• Name: Hexamethylenimine 3-nitrobenzoate
• Synonyms: Benzoic Acid, 3-Nitro-, Compd. With Hexahydro-1H-Azepine (1:1); Benzoic Acid, M-Nitro-, Compd. With Hexahydro-1H-Azepine (1:1) (8Ci); Benzoic Acid, M-Nitro-, Compd. With Hexamethylenimine (7Ci)
• Molecular Formula: C₁₃H₁₈N₂O₄
• Molecular Weight: 266.30
• CAS Registry Number: 7270-73-7
• SMILES: C1=C([N+]([O-])=O)C=CC=C1C(=O)O.C2NCCCCC2
• InChI: 1S/C7H5NO4.C6H13N/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-2-4-6-7-5-3-1/h1-4H,(H,9,10);7H,1-6H2
• InChIKey: LCIYFINKFGDAHD-UHFFFAOYSA-N

Properties

• Boiling point: 340.7°C at 760 mmHg (Cal.)
• Flash point: 157.5°C (Cal.)