6-methylisoquinolin-1-amine

• ChemBase ID: 815587
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: c1cc2c(cc1C)ccnc2N
• Canonical SMILES: Cc1ccc2c(c1)ccnc2N
• InChI: InChI=1S/C10H10N2/c1-7-2-3-9-8(6-7)4-5-12-10(9)11/h2-6H,1H3,(H2,11,12)
• InChIKey: KPFDDEKLIBIDOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylisoquinolin-1-amine
• IUPAC Traditional name: 6-methylisoquinolin-1-amine
• Synonyms: 6-methylisoquinolin-1-amine

Database IDs

• CAS Number: 42398-74-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5936621
• LogD (pH = 7.4): 1.5108784
• Log P: 2.024003
• Molar Refractivity: 50.4064 cm^3
• Polarizability: 19.918608 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%