Nipcomoct

Base Information

• Chemical Name: Nipcomoct
• CAS No.: 155509-52-7
• Molecular Formula: C18H21 Cl I N O2
• Molecular Weight: 445.72
• Mol file: 155509-52-7.mol

Synonyms:(123I)IPT;iodine-123-IPT;N-(3-iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane;N-(3-iodopropen-1-yl)-2-carbomethoxy-3-(4-chlorophenyl)tropane, (E)-isomer;NIPCOMOCT

Chemical Property of Nipcomoct

Chemical Property:

• Vapor Pressure: 8.34E-09mmHg at 25°C
• Boiling Point: 464.5°Cat760mmHg
• PKA: 7.94±0.60(Predicted)
• Flash Point: 234.7°C
• PSA: 26.30000
• Density: 1.514g/cm³
• LogP: 4.50160
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 445.03055
• Heavy Atom Count: 23
• Complexity: 450

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1C2CCC(N2CC=CI)CC1C3=CC=C(C=C3)Cl
• Isomeric SMILES: COC(=O)[C@@H]1[C@H]2CC[C@H](N2C/C=C\I)C[C@@H]1C3=CC=C(C=C3)Cl

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