6,7-dimethoxyquinolin-4-amine

• ChemBase ID: 52828
• Molecular Formular: C11H12N2O2
• Molecular Mass: 204.22518
• Monoisotopic Mass: 204.08987763
• SMILES: c1(c(cc2c(c1)c(ccn2)N)OC)OC
• Canonical SMILES: COc1cc2c(N)ccnc2cc1OC
• InChI: InChI=1S/C11H12N2O2/c1-14-10-5-7-8(12)3-4-13-9(7)6-11(10)15-2/h3-6H,1-2H3,(H2,12,13)
• InChIKey: UZVYGOXJMRZJFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxyquinolin-4-amine
• IUPAC Traditional name: 6,7-dimethoxyquinolin-4-amine
• Synonyms: 6,7-Dimethoxyquinolin-4-amine

Database IDs

• CAS Number: 13425-92-8
• MDL Number: MFCD00865929
• PubChem SID: 162057591
• PubChem CID: 23510

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.3503449
• LogD (pH = 7.4): -0.089460015
• Log P: 0.986632
• Molar Refractivity: 57.6061 cm^3
• Polarizability: 23.111032 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%