3-Cyclohexylamine nitrobenzoate
[CAS# 34139-62-3]

Identification

• Name: 3-Cyclohexylamine nitrobenzoate
• Synonyms: Cyclohexylamine; 3-Nitrobenzoic Acid; 3-Nitrobenzoic Acid Compd. With Cyclohexanamine (1:1); Benzoic Acid, 3-Nitro-, Compd. With Cyclohexanamine (1:1)
• Molecular Formula: C₁₃H₁₈N₂O₄
• Molecular Weight: 266.30
• CAS Registry Number: 34139-62-3
• SMILES: C1=C([N+]([O-])=O)C=CC=C1C(=O)O.C2C(N)CCCC2
• InChI: 1S/C7H5NO4.C6H13N/c9-7(10)5-2-1-3-6(4-5)8(11)12;7-6-4-2-1-3-5-6/h1-4H,(H,9,10);6H,1-5,7H2
• InChIKey: QMIMSBLFGDSHCY-UHFFFAOYSA-N

Properties

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