6-ethoxy-4-hydrazinyl-2-methylquinoline hydrochloride

• ChemBase ID: 805283
• Molecular Formular: C12H16ClN3O
• Molecular Mass: 253.72794
• Monoisotopic Mass: 253.09818983
• SMILES: Cl.c1cc2c(cc1OCC)c(cc(n2)C)NN
• Canonical SMILES: CCOc1ccc2c(c1)c(NN)cc(n2)C.Cl
• InChI: InChI=1S/C12H15N3O.ClH/c1-3-16-9-4-5-11-10(7-9)12(15-13)6-8(2)14-11;/h4-7H,3,13H2,1-2H3,(H,14,15);1H
• InChIKey: JQKLVWIDTJOMQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxy-4-hydrazinyl-2-methylquinoline hydrochloride
• IUPAC Traditional name: 6-ethoxy-4-hydrazinyl-2-methylquinoline hydrochloride
• Synonyms: 6-ETHOXY-4-HYDRAZINO-2-METHYLQUINOLINE HYDROCHLORIDE

Database IDs

• CAS Number: 1071572-37-6

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.28321326
• LogD (pH = 7.4): 1.7221842
• Log P: 1.85305
• Molar Refractivity: 65.4893 cm^3
• Polarizability: 25.643183 Å^3
• Polar Surface Area: 60.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%