(6-methoxyquinolin-2-yl)methanamine dihydrochloride

• ChemBase ID: 266529
• Molecular Formular: C11H14Cl2N2O
• Molecular Mass: 261.14766
• Monoisotopic Mass: 260.04831844
• SMILES: n1c2c(cc(cc2)OC)ccc1CN.Cl.Cl
• Canonical SMILES: COc1ccc2c(c1)ccc(n2)CN.Cl.Cl
• InChI: InChI=1S/C11H12N2O.2ClH/c1-14-10-4-5-11-8(6-10)2-3-9(7-12)13-11;;/h2-6H,7,12H2,1H3;2*1H
• InChIKey: PFELIUKWLWELKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methoxyquinolin-2-yl)methanamine dihydrochloride
• IUPAC Traditional name: (6-methoxyquinolin-2-yl)methanamine dihydrochloride
• Synonyms: (6-methoxyquinolin-2-yl)methanamine dihydrochloride

Database IDs

• MDL Number: MFCD15209692
• PubChem SID: 164322439
• PubChem CID: 47002728

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5713058
• LogD (pH = 7.4): -0.014188116
• Log P: 1.1804695
• Molar Refractivity: 54.3937 cm^3
• Polarizability: 22.87453 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 213 - 215°C
• Hydrophobicity(logP): 1.276

Product Information

• Purity: 95%