6-methylquinolin-8-amine

• ChemBase ID: 244857
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: c1(c2c(cc(c1)C)cccn2)N
• Canonical SMILES: Cc1cc2cccnc2c(c1)N
• InChI: InChI=1S/C10H10N2/c1-7-5-8-3-2-4-12-10(8)9(11)6-7/h2-6H,11H2,1H3
• InChIKey: ZAKYERLVLCYWJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylquinolin-8-amine
• IUPAC Traditional name: 8-quinolinamine, 6-methyl-
• Synonyms: 6-methylquinolin-8-amine

Database IDs

• MDL Number: MFCD06408350
• PubChem SID: 164300767
• PubChem CID: 110237

CALCULATED PROPERTIES

• Acid pKa: 19.98121
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7855855
• LogD (pH = 7.4): 1.8150064
• Log P: 1.815396
• Molar Refractivity: 49.7209 cm^3
• Polarizability: 19.929302 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.976

Product Information

• Purity: 95%