7-bromoquinolin-3-amine dihydrochloride

• ChemBase ID: 88829
• Molecular Formular: C9H9BrCl2N2
• Molecular Mass: 295.99116
• Monoisotopic Mass: 293.93261566
• SMILES: n1cc(cc2ccc(cc12)Br)N.Cl.Cl
• Canonical SMILES: Brc1ccc2c(c1)ncc(c2)N.Cl.Cl
• InChI: InChI=1S/C9H7BrN2.2ClH/c10-7-2-1-6-3-8(11)5-12-9(6)4-7;;/h1-5H,11H2;2*1H
• InChIKey: WWOBJYQAUMAHIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-bromoquinolin-3-amine dihydrochloride
• IUPAC Traditional name: 7-bromoquinolin-3-amine dihydrochloride
• Synonyms: 7-Bromoquinolin-3-amine dihydrochloride; 3-Amino-7-bromoquinoline dihydrochloride

Database IDs

• PubChem SID: 162104677
• PubChem CID: 53396930

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0554843
• LogD (pH = 7.4): 2.0705316
• Log P: 2.070727
• Molar Refractivity: 52.3025 cm^3
• Polarizability: 20.763231 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Light Sensitive/Store under Argon