4-hydrazinyl-7-methoxyquinoline hydrochloride

• ChemBase ID: 805217
• Molecular Formular: C10H12ClN3O
• Molecular Mass: 225.67478
• Monoisotopic Mass: 225.0668897
• SMILES: Cl.c1(cc2c(cc1)c(ccn2)NN)OC
• Canonical SMILES: COc1ccc2c(c1)nccc2NN.Cl
• InChI: InChI=1S/C10H11N3O.ClH/c1-14-7-2-3-8-9(13-11)4-5-12-10(8)6-7;/h2-6H,11H2,1H3,(H,12,13);1H
• InChIKey: WCIGQPISMSHYRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-7-methoxyquinoline hydrochloride
• IUPAC Traditional name: 4-hydrazinyl-7-methoxyquinoline hydrochloride
• Synonyms: 4-HYDRAZINO-7-METHOXYQUINOLINE HYDROCHLORIDE

Database IDs

• CAS Number: 68500-40-3

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.18199444
• LogD (pH = 7.4): 1.3027272
• Log P: 1.3648719
• Molar Refractivity: 56.1492 cm^3
• Polarizability: 22.032045 Å^3
• Polar Surface Area: 60.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%