1-(prop-2-en-1-yl)naphthalene

• ChemBase ID: 108751
• Molecular Formular: C13H12
• Molecular Mass: 168.23438
• Monoisotopic Mass: 168.09390038
• SMILES: C=CCc1c2ccccc2ccc1
• Canonical SMILES: C=CCc1cccc2c1cccc2
• InChI: InChI=1S/C13H12/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h2-5,7-10H,1,6H2
• InChIKey: RJFCFNWLPJRCLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(prop-2-en-1-yl)naphthalene
• IUPAC Traditional name: 1-allylnaphthalene
• Synonyms: 1-ALLYLNAPHTHALENE

Database IDs

• CAS Number: 2489-86-3
• PubChem SID: 162094608
• PubChem CID: 17217

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.061293
• LogD (pH = 7.4): 4.061293
• Log P: 4.061293
• Molar Refractivity: 56.7955 cm^3
• Polarizability: 23.378296 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%

DETAILS

MP Biomedicals - 05208604

MP Biomedicals Rare Chemical collection