6-chloroquinolin-3-amine dihydrochloride

• ChemBase ID: 88826
• Molecular Formular: C9H9Cl3N2
• Molecular Mass: 251.54016
• Monoisotopic Mass: 249.98313134
• SMILES: n1cc(cc2cc(ccc12)Cl)N.Cl.Cl
• Canonical SMILES: Clc1ccc2c(c1)cc(cn2)N.Cl.Cl
• InChI: InChI=1S/C9H7ClN2.2ClH/c10-7-1-2-9-6(3-7)4-8(11)5-12-9;;/h1-5H,11H2;2*1H
• InChIKey: ZVRRGTJMPPIIQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloroquinolin-3-amine dihydrochloride
• IUPAC Traditional name: 6-chloroquinolin-3-amine dihydrochloride
• Synonyms: 6-Chloroquinolin-3-amine dihydrochloride; 3-Amino-6-chloroquinoline dihydrochloride

Database IDs

• PubChem SID: 162104652
• PubChem CID: 53396929

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8953862
• LogD (pH = 7.4): 1.9058836
• Log P: 1.9060192
• Molar Refractivity: 49.4845 cm^3
• Polarizability: 19.945274 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Store under Argon