Altropane

Base Information

• Chemical Name: Altropane
• CAS No.: 180468-34-2
• Molecular Formula: C18H21 F I N O2
• Molecular Weight: 429.273
• UNII: 1Q4092099O
• DSSTox Substance ID: DTXSID901027571
• Nikkaji Number: J1.388.189H,J1.578.527F
• Wikipedia: Altropane
• Wikidata: Q4737006
• Metabolomics Workbench ID: 149348
• ChEMBL ID: CHEMBL4301492
• Mol file: 180468-34-2.mol

Synonyms:2-carbomethoxy-3-(4-fluorophenyl)-N-(1-iodoprop-1-en-3-yl)nortropane;Altropane;IACFT;N-iodoallyl-2-carbomethoxy-3-(4-fluorophenyl)tropane

Chemical Property of Altropane

Chemical Property:

• Vapor Pressure: 5.76E-08mmHg at 25°C
• Melting Point: 115-116°,
• Boiling Point: 440.7°Cat760mmHg
• Flash Point: 220.3°C
• PSA: 29.54000
• Density: 1.498g/cm³
• LogP: 3.82180
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 429.06010
• Heavy Atom Count: 23
• Complexity: 450

Purity/Quality:

99% ^*data from raw suppliers

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)F
• Isomeric SMILES: COC(=O)[C@@H]1[C@H]2CC[C@H](N2C/C=C/I)C[C@@H]1C3=CC=C(C=C3)F