4-Chloro-alpha-Phenyl-Cinnamic Acid 3-Tropanyl Ester Hydrochloride Hydrate
[CAS# 100908-72-3]

Identification

• Name: 4-Chloro-alpha-Phenyl-Cinnamic Acid 3-Tropanyl Ester Hydrochloride Hydrate
• Synonyms: (8-Methyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl) (E)-3-(4-Chlorophenyl)-2-Phenyl-Prop-2-Enoate Chloride; (E)-3-(4-Chlorophenyl)-2-Phenylprop-2-Enoic Acid (8-Methyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl) Ester Chloride; (E)-3-(4-Chlorophenyl)-2-Phenyl-Acrylic Acid (8-Methyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl) Ester Chloride
• Molecular Formula: C₂₃H₂₅Cl₂NO₂
• Molecular Weight: 418.36
• CAS Registry Number: 100908-72-3
• SMILES: C1=CC=CC=C1\C(=C/C2=CC=C(C=C2)Cl)C(OC3CC4[NH+](C(C3)CC4)C)=O.[Cl-]
• InChI: 1S/C23H24ClNO2.ClH/c1-25-19-11-12-20(25)15-21(14-19)27-23(26)22(17-5-3-2-4-6-17)13-16-7-9-18(24)10-8-16;/h2-10,13,19-21H,11-12,14-15H2,1H3;1H/b22-13+
• InChIKey: UAGGRJQCNZAGGQ-PNAHYYPNSA-N

Properties

• Boiling point: 500.6°C at 760 mmHg (Cal.)
• Flash point: 256.5°C (Cal.)