quinolin-4-amine hydrochloride

• ChemBase ID: 256848
• Molecular Formular: C9H9ClN2
• Molecular Mass: 180.63416
• Monoisotopic Mass: 180.04542598
• SMILES: c12c(N)ccnc1cccc2.Cl
• Canonical SMILES: Nc1ccnc2c1cccc2.Cl
• InChI: InChI=1S/C9H8N2.ClH/c10-8-5-6-11-9-4-2-1-3-7(8)9;/h1-6H,(H2,10,11);1H
• InChIKey: GNZIHPAAJVXCAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-4-amine hydrochloride
• IUPAC Traditional name: 4-aminoquinoline hydrochloride
• Synonyms: quinolin-4-amine hydrochloride

Database IDs

• MDL Number: MFCD11099495
• PubChem SID: 164312758
• PubChem CID: 12255326

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.024665048
• LogD (pH = 7.4): 0.5022929
• Log P: 1.3019745
• Molar Refractivity: 44.6797 cm^3
• Polarizability: 18.15915 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.702

Product Information

• Purity: 95%