7,8-dimethoxyquinolin-4-amine

• ChemBase ID: 52832
• Molecular Formular: C11H12N2O2
• Molecular Mass: 204.22518
• Monoisotopic Mass: 204.08987763
• SMILES: c1c(c(c2c(c1)c(ccn2)N)OC)OC
• Canonical SMILES: COc1c(OC)ccc2c1nccc2N
• InChI: InChI=1S/C11H12N2O2/c1-14-9-4-3-7-8(12)5-6-13-10(7)11(9)15-2/h3-6H,1-2H3,(H2,12,13)
• InChIKey: SYTHKTKWSHBYKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dimethoxyquinolin-4-amine
• IUPAC Traditional name: 7,8-dimethoxyquinolin-4-amine
• Synonyms: 7,8-Dimethoxyquinolin-4-amine

Database IDs

• CAS Number: 99878-77-0
• MDL Number: MFCD08063222
• PubChem SID: 162057595
• PubChem CID: 49757965

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.15252337
• LogD (pH = 7.4): 0.83929884
• Log P: 0.986632
• Molar Refractivity: 57.6061 cm^3
• Polarizability: 23.11768 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%