6-methylquinolin-4-amine

• ChemBase ID: 811254
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: c1cc2c(cc1C)c(ccn2)N
• Canonical SMILES: Cc1ccc2c(c1)c(N)ccn2
• InChI: InChI=1S/C10H10N2/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3,(H2,11,12)
• InChIKey: SRZFMMDHZCOFRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylquinolin-4-amine
• IUPAC Traditional name: 6-methylquinolin-4-amine
• Synonyms: 4-AMINO-6-METHYLQUINOLINE

Database IDs

• CAS Number: 874589-77-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.48466343
• LogD (pH = 7.4): 0.9303853
• Log P: 1.815396
• Molar Refractivity: 49.7209 cm^3
• Polarizability: 19.921417 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%