1-Pentyl-3-(2-methylphenylacetyl)indole

Base Information

• Chemical Name: 1-Pentyl-3-(2-methylphenylacetyl)indole
• CAS No.: 864445-39-6
• Molecular Formula: C22H25NO
• Molecular Weight: 319.44000
• UNII: 55H9NDH32M
• ChEMBL ID: CHEMBL364820
• DSSTox Substance ID: DTXSID80235555
• Nikkaji Number: J2.884.536G
• Pharos Ligand ID: 77ZDDCNK1X8V
• Wikidata: Q6109220
• Wikipedia: JWH-251
• Mol file: 864445-39-6.mol

Synonyms:1-(1-pentyl-1H-indol-3-yl)-2-o-tolylethanone;JWH-251

Chemical Property of 1-Pentyl-3-(2-methylphenylacetyl)indole

Chemical Property:

• Boiling Point: 489.2±25.0 °C(Predicted)
• PSA: 22.00000
• Density: 1.03±0.1 g/cm3(Predicted)
• LogP: 5.56530
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 319.193614421
• Heavy Atom Count: 24
• Complexity: 407

Purity/Quality:

95% ^*data from raw suppliers

JWH 251 ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3C
• Uses: JWH 251 is a compound from the new class of cannabimimetic indoles.

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