2-Dimethylaminomethylcyclohexyl Benzoate
[CAS# 117307-29-6]

Identification

• Name: 2-Dimethylaminomethylcyclohexyl Benzoate
• Synonyms: Benzoic Acid [(1S,2S)-2-(Dimethylaminomethyl)Cyclohexyl] Ester; (1S-Cis)-2-((Dimethylamino)Methyl)Cyclohexanol Benzoate (Ester); 2-Dimethylaminomethylcyclohexyl Benzoate
• Molecular Formula: C₁₆H₂₃NO₂
• Molecular Weight: 261.36
• CAS Registry Number: 117307-29-6
• SMILES: [C@@H]2(OC(C1=CC=CC=C1)=O)[C@@H](CCCC2)CN(C)C
• InChI: 1S/C16H23NO2/c1-17(2)12-14-10-6-7-11-15(14)19-16(18)13-8-4-3-5-9-13/h3-5,8-9,14-15H,6-7,10-12H2,1-2H3/t14-,15-/m0/s1
• InChIKey: OYIQBJVQPZHJHK-GJZGRUSLSA-N

Properties

• Density: 1.061g/cm³ (Cal.)
• Boiling point: 348.99°C at 760 mmHg (Cal.)
• Flash point: 115.729°C (Cal.)