3-alpha-Tropanyl 2-(4-chlorophenoxy)butyrate (Z)-2-butenedioate (1:1)
[CAS# 155156-22-2]

Identification

• Name: 3-alpha-Tropanyl 2-(4-chlorophenoxy)butyrate (Z)-2-butenedioate (1:1)
• Synonyms: But-2-Enedioic Acid; (2R)-2-(4-Chlorophenoxy)Butanoic Acid (8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl) Ester; But-2-Enedioic Acid; (2R)-2-(4-Chlorophenoxy)Butyric Acid (8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl) Ester; 3-Alpha-Tropanyl-(2-Cl)-Acid Phenoxybutyrate
• Molecular Formula: C₂₂H₂₈ClNO₇
• Molecular Weight: 453.92
• CAS Registry Number: 155156-22-2
• SMILES: [C@H](OC1=CC=C(Cl)C=C1)(C(OC2CC3N(C(C2)CC3)C)=O)CC.O=C(O)\C=C\C(=O)O
• InChI: 1S/C18H24ClNO3.C4H4O4/c1-3-17(22-15-8-4-12(19)5-9-15)18(21)23-16-10-13-6-7-14(11-16)20(13)2;5-3(6)1-2-4(7)8/h4-5,8-9,13-14,16-17H,3,6-7,10-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t13?,14?,16?,17-;/m1./s1
• InChIKey: BHXGTFUQDGMXHA-HPXVQWRESA-N

Properties

• Boiling point: 425°C at 760 mmHg (Cal.)
• Flash point: 210.9°C (Cal.)