7-methylquinolin-4-amine

• ChemBase ID: 806591
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: c1(cc2c(cc1)c(ccn2)N)C
• Canonical SMILES: Cc1ccc2c(c1)nccc2N
• InChI: InChI=1S/C10H10N2/c1-7-2-3-8-9(11)4-5-12-10(8)6-7/h2-6H,1H3,(H2,11,12)
• InChIKey: SZUXCWXZQUMIPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methylquinolin-4-amine
• IUPAC Traditional name: 7-methylquinolin-4-amine
• Synonyms: 4-AMINO-7-METHYLQUINOLINE

Database IDs

• CAS Number: 860193-92-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.47983727
• LogD (pH = 7.4): 0.7923254
• Log P: 1.815396
• Molar Refractivity: 49.7209 cm^3
• Polarizability: 19.921104 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%