Cyclohexylamine Benzoate
[CAS# 3129-92-8]

Identification

• Name: Cyclohexylamine Benzoate
• Synonyms: Benzoic Acid; Cyclohexylamine; Benzoic Acid, Compd. With Cyclohexylamine (1:1) (8Ci); Benzoic Acid, Compound With Cyclohexylamine (1:1)
• Molecular Formula: C₁₃H₁₉NO₂
• Molecular Weight: 221.30
• CAS Registry Number: 3129-92-8
• EINECS: 221-516-4
• SMILES: C1=C(C(=O)O)C=CC=C1.C2C(N)CCCC2
• InChI: 1S/C7H6O2.C6H13N/c8-7(9)6-4-2-1-3-5-6;7-6-4-2-1-3-5-6/h1-5H,(H,8,9);6H,1-5,7H2
• InChIKey: CIFYUXXXOJJPOL-UHFFFAOYSA-N

Properties

• Boiling point: 249.3°C at 760 mmHg (Cal.)
• Flash point: 111.4°C (Cal.)

References

• (1): James A. Odendal, Jocelyn C. Bruce, Klaus R. Koch and Delia A. Haynes. Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts, CrystEngComm, 2010, 12, 2398.