2-methylquinolin-8-amine

• ChemBase ID: 16992
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: c12c(ccc(n2)C)cccc1N
• Canonical SMILES: Cc1ccc2c(n1)c(N)ccc2
• InChI: InChI=1S/C10H10N2/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,11H2,1H3
• InChIKey: JHIAOWGCGNMQKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylquinolin-8-amine
• IUPAC Traditional name: 2-methylquinolin-8-amine
• Synonyms: 2-Methyl-quinolin-8-ylamine; 2-methylquinolin-8-amine; 8-Aminoquinaldine

Database IDs

• CAS Number: 18978-78-4
• MDL Number: MFCD00023998
• PubChem SID: 160980299
• PubChem CID: 140457

CALCULATED PROPERTIES

• Acid pKa: 19.962847
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3699468
• LogD (pH = 7.4): 1.4324841
• Log P: 1.4333447
• Molar Refractivity: 49.2712 cm^3
• Polarizability: 19.929058 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.693
• Hydrophobicity(logP): 1.976

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%