quinolin-8-ylmethanamine hydrochloride

• ChemBase ID: 269436
• Molecular Formular: C10H11ClN2
• Molecular Mass: 194.66074
• Monoisotopic Mass: 194.06107604
• SMILES: c12c(CN)cccc2cccn1.Cl
• Canonical SMILES: NCc1cccc2c1nccc2.Cl
• InChI: InChI=1S/C10H10N2.ClH/c11-7-9-4-1-3-8-5-2-6-12-10(8)9;/h1-6H,7,11H2;1H
• InChIKey: BFMBFIOWYGKDKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-8-ylmethanamine hydrochloride
• IUPAC Traditional name: quinolin-8-ylmethanamine hydrochloride
• Synonyms: quinolin-8-ylmethanamine hydrochloride

Database IDs

• MDL Number: MFCD16817578
• PubChem SID: 164325346
• PubChem CID: 50988699

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.734049
• LogD (pH = 7.4): -0.8110198
• Log P: 1.2566689
• Molar Refractivity: 48.4527 cm^3
• Polarizability: 20.426851 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 175 - 177°C
• Hydrophobicity(logP): 0.981

Product Information

• Purity: 95%