Methyl (1R,2S,3S,5S)-3-(4-Chlorophenyl)-8-[(Z)-3-Iodoprop-2-Enyl]-8-Azabicyclo[3.2.1]Octane-2-Carboxylate
[CAS# 155509-52-7]

Identification

• Name: Methyl (1R,2S,3S,5S)-3-(4-Chlorophenyl)-8-[(Z)-3-Iodoprop-2-Enyl]-8-Azabicyclo[3.2.1]Octane-2-Carboxylate
• Synonyms: (1R,2S,3S,5S)-3-(4-Chlorophenyl)-8-[(Z)-3-Iodoprop-2-Enyl]-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid Methyl Ester; 8-Azabicyclo(3.2.1)Octane-2-Carboxylic Acid, 3-(4-Chlorophenyl)-8-(3-Iodo-2-Propenyl)-, Methyl Ester, (1R-(1Alpha,2Alpha,3Alpha,5Lpha,8(Z)))-; Iodine-123-Ipt
• Molecular Formula: C₁₈H₂₁ClINO₂
• Molecular Weight: 445.73
• CAS Registry Number: 155509-52-7
• SMILES: [C@H]13N([C@H](C[C@@H]([C@@H]1C(OC)=O)C2=CC=C(Cl)C=C2)CC3)C\C=C/I
• InChI: 1S/C18H21ClINO2/c1-23-18(22)17-15(12-3-5-13(19)6-4-12)11-14-7-8-16(17)21(14)10-2-9-20/h2-6,9,14-17H,7-8,10-11H2,1H3/b9-2-/t14-,15+,16+,17-/m0/s1
• InChIKey: NHXMCNVSIJECMD-NQRVDGKMSA-N

Properties

• Density: 1.515g/cm³ (Cal.)
• Boiling point: 464.463°C at 760 mmHg (Cal.)
• Flash point: 234.699°C (Cal.)