quinolin-3-amine hydrochloride

• ChemBase ID: 293293
• Molecular Formular: C9H9ClN2
• Molecular Mass: 180.63416
• Monoisotopic Mass: 180.04542598
• SMILES: Nc1cc2ccccc2nc1.Cl
• Canonical SMILES: Nc1cnc2c(c1)cccc2.Cl
• InChI: InChI=1S/C9H8N2.ClH/c10-8-5-7-3-1-2-4-9(7)11-6-8;/h1-6H,10H2;1H
• InChIKey: LHJPZMGHTSQVLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-3-amine hydrochloride
• IUPAC Traditional name: 3-aminoquinoline hydrochloride
• Synonyms: Quinolin-3-amine hydrochloride

Database IDs

• CAS Number: 65259-40-7
• MDL Number: MFCD18384649
• PubChem SID: 180678824
• PubChem CID: 19377293

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2170014
• LogD (pH = 7.4): 1.3007824
• Log P: 1.3019745
• Molar Refractivity: 44.6797 cm^3
• Polarizability: 18.161407 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%