8-chloroquinolin-5-amine hydrochloride

• ChemBase ID: 254215
• Molecular Formular: C9H8Cl2N2
• Molecular Mass: 215.07922
• Monoisotopic Mass: 214.00645363
• SMILES: c12c(nccc2)c(ccc1N)Cl.Cl
• Canonical SMILES: Nc1ccc(c2c1cccn2)Cl.Cl
• InChI: InChI=1S/C9H7ClN2.ClH/c10-7-3-4-8(11)6-2-1-5-12-9(6)7;/h1-5H,11H2;1H
• InChIKey: FTIJBSGQFJZPRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloroquinolin-5-amine hydrochloride
• IUPAC Traditional name: 8-chloroquinolin-5-amine hydrochloride
• Synonyms: 8-chloroquinolin-5-amine hydrochloride

Database IDs

• MDL Number: MFCD09834096
• PubChem SID: 164310125
• PubChem CID: 42942090

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9001975
• LogD (pH = 7.4): 1.9059454
• Log P: 1.9060192
• Molar Refractivity: 49.4845 cm^3
• Polarizability: 19.966894 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 297 - 299°C
• Hydrophobicity(logP): 2.307

Product Information

• Purity: 95%
• Salt Data: HCl