8-methoxyquinolin-5-amine

• ChemBase ID: 115212
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c12c(nccc2)c(ccc1N)OC
• Canonical SMILES: COc1ccc(c2c1nccc2)N
• InChI: InChI=1S/C10H10N2O/c1-13-9-5-4-8(11)7-3-2-6-12-10(7)9/h2-6H,11H2,1H3
• InChIKey: PFWACEYBFBFSRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxyquinolin-5-amine
• IUPAC Traditional name: 8-methoxyquinolin-5-amine
• Synonyms: 8-Methoxy-quinolin-5-ylamine; 8-methoxyquinolin-5-amine

Database IDs

• CAS Number: 70945-35-6
• MDL Number: MFCD09044356
• PubChem SID: 162099961
• PubChem CID: 589466

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1325076
• LogD (pH = 7.4): 1.1441526
• Log P: 1.1443032
• Molar Refractivity: 51.1429 cm^3
• Polarizability: 20.629477 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 155 - 157°C
• Partition Coefficient: 1.388
• Hydrophobicity(logP): 1.804

Product Information

• Purity: 95%; 95+%