quinolin-5-amine hydrochloride

• ChemBase ID: 293294
• Molecular Formular: C9H9ClN2
• Molecular Mass: 180.63416
• Monoisotopic Mass: 180.04542598
• SMILES: Nc1c2cccnc2ccc1.Cl
• Canonical SMILES: Nc1cccc2c1cccn2.Cl
• InChI: InChI=1S/C9H8N2.ClH/c10-8-4-1-5-9-7(8)3-2-6-11-9;/h1-6H,10H2;1H
• InChIKey: TVFBMABMEWOYPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinolin-5-amine hydrochloride
• IUPAC Traditional name: 5-aminoquinoline hydrochloride
• Synonyms: Quinolin-5-amine hydrochloride

Database IDs

• CAS Number: 152814-24-9
• PubChem SID: 180678825
• PubChem CID: 69671386

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.128928
• LogD (pH = 7.4): 1.2992443
• Log P: 1.3019745
• Molar Refractivity: 44.6797 cm^3
• Polarizability: 18.163153 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%