Propan-2-Yl (1R,2S,3S)-3-(4-Iodophenyl)-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylate
[CAS# 146145-21-3]

Identification

• Name: Propan-2-Yl (1R,2S,3S)-3-(4-Iodophenyl)-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylate
• Synonyms: Isopropyl (1R,2S,3S)-3-(4-Iodophenyl)-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylate; (1R,2S,3S)-3-(4-Iodophenyl)-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid Isopropyl Ester; 3Beta-(4-Iodophenyl)Tropan-2Beta-Carboxylic Acid Isopropyl Ester
• Molecular Formula: C₁₈H₂₄INO₂
• Molecular Weight: 413.30
• CAS Registry Number: 146145-21-3
• SMILES: [C@H]1([C@@H]3N(C(C[C@@H]1C2=CC=C(C=C2)I)CC3)C)C(OC(C)C)=O
• InChI: 1S/C18H24INO2/c1-11(2)22-18(21)17-15(12-4-6-13(19)7-5-12)10-14-8-9-16(17)20(14)3/h4-7,11,14-17H,8-10H2,1-3H3/t14?,15-,16-,17+/m1/s1
• InChIKey: ZAQLTGAFVMGUMB-IFFAKLHKSA-N

Properties

• Density: 1.419g/cm³ (Cal.)
• Boiling point: 426.898°C at 760 mmHg (Cal.)
• Flash point: 211.981°C (Cal.)