3-(3-Iodo-4-amino)phenethyl-1-propyl-8-cyclopentylxanthine

Base Information

• Chemical Name: 3-(3-Iodo-4-amino)phenethyl-1-propyl-8-cyclopentylxanthine
• CAS No.: 116370-32-2
• Molecular Formula: C21H26 I N5 O2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID70151376
• Wikidata: Q83017832
• Mol file: 116370-32-2.mol

Synonyms:3-(3-iodo-4-amino)phenethyl-1-propyl-8-cyclopentylxanthine;I BW A 844U;I-BW-A844U;I-BWA844U

Chemical Property of 3-(3-Iodo-4-amino)phenethyl-1-propyl-8-cyclopentylxanthine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 98.70000
• Density: 1.57g/cm³
• LogP: 3.96460
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 505.11328
• Heavy Atom Count: 29
• Complexity: 614

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCC4=CC(=C(C=C4)N)I
• Isomeric SMILES: CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCC4=CC(=C(C=C4)N)[125I]