6-ethoxyquinolin-4-amine

• ChemBase ID: 805184
• Molecular Formular: C11H12N2O
• Molecular Mass: 188.22578
• Monoisotopic Mass: 188.09496301
• SMILES: c1cc2c(cc1OCC)c(ccn2)N
• Canonical SMILES: CCOc1ccc2c(c1)c(N)ccn2
• InChI: InChI=1S/C11H12N2O/c1-2-14-8-3-4-11-9(7-8)10(12)5-6-13-11/h3-7H,2H2,1H3,(H2,12,13)
• InChIKey: RNUBRPFTBRGLKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxyquinolin-4-amine
• IUPAC Traditional name: 6-ethoxyquinolin-4-amine
• Synonyms: 4-AMINO-6-ETHOXYQUINOLINE

Database IDs

• CAS Number: 948293-13-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.171862
• LogD (pH = 7.4): 0.64955837
• Log P: 1.5011111
• Molar Refractivity: 55.8915 cm^3
• Polarizability: 22.465508 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%