4-hydrazinyl-6-methoxyquinoline hydrochloride

• ChemBase ID: 805214
• Molecular Formular: C10H12ClN3O
• Molecular Mass: 225.67478
• Monoisotopic Mass: 225.0668897
• SMILES: Cl.c1cc2c(cc1OC)c(ccn2)NN
• Canonical SMILES: COc1ccc2c(c1)c(NN)ccn2.Cl
• InChI: InChI=1S/C10H11N3O.ClH/c1-14-7-2-3-9-8(6-7)10(13-11)4-5-12-9;/h2-6H,11H2,1H3,(H,12,13);1H
• InChIKey: CPDQEAVUHOOPMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-6-methoxyquinoline hydrochloride
• IUPAC Traditional name: 4-hydrazinyl-6-methoxyquinoline hydrochloride
• Synonyms: 4-HYDRAZINO-6-METHOXYQUINOLINE HYDROCHLORIDE

Database IDs

• CAS Number: 68500-39-0

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.3612578
• LogD (pH = 7.4): 1.3297362
• Log P: 1.3648719
• Molar Refractivity: 56.1492 cm^3
• Polarizability: 22.032328 Å^3
• Polar Surface Area: 60.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%