2,3-Dehydrococaine
[CAS# 93675-36-6]

Identification

• Name: 2,3-Dehydrococaine
• Synonyms: 8-Methyl-3-(Oxo-Phenylmethoxy)-8-Azabicyclo[3.2.1]Oct-3-Ene-4-Carboxylic Acid Methyl Ester; 3-(Benzoyloxy)-8-Methyl-8-Azabicyclo[3.2.1]Oct-3-Ene-4-Carboxylic Acid Methyl Ester; Methyl 8-Methyl-3-Phenylcarbonyloxy-8-Azabicyclo[3.2.1]Oct-3-Ene-4-Carboxylate
• Molecular Formula: C₁₇H₁₉NO₄
• Molecular Weight: 301.34
• CAS Registry Number: 93675-36-6
• SMILES: C3=C(C(OC1=C(C2CCC(C1)N2C)C(OC)=O)=O)C=CC=C3
• InChI: 1S/C17H19NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3
• InChIKey: YSCDWHGVYWYQDS-UHFFFAOYSA-N

Properties

• Density: 1.256g/cm³ (Cal.)
• Boiling point: 418.244°C at 760 mmHg (Cal.)
• Flash point: 206.747°C (Cal.)