6-methoxyquinolin-8-amine

• ChemBase ID: 52802
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c1c(cc2c(c1N)nccc2)OC
• Canonical SMILES: COc1cc(N)c2c(c1)cccn2
• InChI: InChI=1S/C10H10N2O/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8/h2-6H,11H2,1H3
• InChIKey: YGGTVPCTAKYCSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxyquinolin-8-amine
• IUPAC Traditional name: 6-methoxyquinolin-8-amine
• Synonyms: 6-Methoxyquinolin-8-amine; 6-Methoxy-quinolin-8-ylamine; 8-Amino-6-methoxyquinoline

Database IDs

• CAS Number: 90-52-8
• MDL Number: MFCD00672902
• PubChem SID: 162057565
• PubChem CID: 7023

CALCULATED PROPERTIES

• Acid pKa: 18.75478
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1222932
• LogD (pH = 7.4): 1.1440184
• Log P: 1.1443032
• Molar Refractivity: 51.1429 cm^3
• Polarizability: 20.627005 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.464

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%