Indolepropanol phosphate

Base Information

• Chemical Name: Indolepropanol phosphate
• CAS No.: 40716-80-1
• Molecular Formula: C11H14NO4P
• Molecular Weight: 255.2069
• Hs Code.: 2933990090
• UNII: KO9J17S3FI
• DSSTox Substance ID: DTXSID00193709
• Nikkaji Number: J736.823B
• Wikidata: Q27094108
• Metabolomics Workbench ID: 51605
• ChEMBL ID: CHEMBL74074
• Mol file: 40716-80-1.mol

Synonyms:indolepropanol phosphate;IPP

Chemical Property of Indolepropanol phosphate

Chemical Property:

• Vapor Pressure: 5.27E-12mmHg at 25°C
• Boiling Point: 528.6°Cat760mmHg
• Flash Point: 273.5°C
• PSA: 92.36000
• Density: 1.444g/cm³
• LogP: 2.20980
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 255.06604493
• Heavy Atom Count: 17
• Complexity: 293

Purity/Quality:

97% ^*data from raw suppliers

Indole-3-propylPhosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CCCOP(=O)(O)O
• Uses: Indole-3-propyl Phosphate is a useful compound in calculations of free energy of binding for protein-ligand complexes.

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