7-bromoquinolin-4-amine hydrochloride

• ChemBase ID: 799368
• Molecular Formular: C9H8BrClN2
• Molecular Mass: 259.53022
• Monoisotopic Mass: 257.95593795
• SMILES: Cl.Nc1c2c(cc(cc2)Br)ncc1
• Canonical SMILES: Brc1ccc2c(c1)nccc2N.Cl
• InChI: InChI=1S/C9H7BrN2.ClH/c10-6-1-2-7-8(11)3-4-12-9(7)5-6;/h1-5H,(H2,11,12);1H
• InChIKey: XEURIUWGVLHXHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromoquinolin-4-amine hydrochloride
• IUPAC Traditional name: 7-bromoquinolin-4-amine hydrochloride
• Synonyms: 7-Bromo-quinolin-4-ylamine hydrochloride

Database IDs

• CAS Number: 1187931-88-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.81209433
• LogD (pH = 7.4): 1.7445499
• Log P: 2.070727
• Molar Refractivity: 52.3025 cm^3
• Polarizability: 20.761223 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%