1-benzyl-1H-indole

• ChemBase ID: 815776
• Molecular Formular: C15H13N
• Molecular Mass: 207.27042
• Monoisotopic Mass: 207.10479942
• SMILES: c1cc2ccccc2n1Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)Cn1ccc2c1cccc2
• InChI: InChI=1S/C15H13N/c1-2-6-13(7-3-1)12-16-11-10-14-8-4-5-9-15(14)16/h1-11H,12H2
• InChIKey: NJZQOCCEDXRQJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-1H-indole
• IUPAC Traditional name: 1-benzylindole
• Synonyms: 1-BENZYLINDOLE

Database IDs

• CAS Number: 3377-71-7

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.020157
• LogD (pH = 7.4): 4.020157
• Log P: 4.020157
• Molar Refractivity: 66.6538 cm^3
• Polarizability: 27.069677 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%