5-methylisoquinoline

• ChemBase ID: 291926
• Molecular Formular: C10H9N
• Molecular Mass: 143.18516
• Monoisotopic Mass: 143.07349929
• SMILES: Cc1cccc2c1ccnc2
• Canonical SMILES: Cc1cccc2c1ccnc2
• InChI: InChI=1S/C10H9N/c1-8-3-2-4-9-7-11-6-5-10(8)9/h2-7H,1H3
• InChIKey: QHRZMGDJNNDMGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylisoquinoline
• IUPAC Traditional name: 5-methylisoquinoline
• Synonyms: 5-Methylisoquinoline

Database IDs

• CAS Number: 62882-01-3
• PubChem SID: 180677457
• PubChem CID: 3085255

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0423326
• LogD (pH = 7.4): 2.2546825
• Log P: 2.2584715
• Molar Refractivity: 45.3925 cm^3
• Polarizability: 18.837458 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%