8-ethyl-4-hydrazinyl-2-methylquinoline hydrochloride

• ChemBase ID: 805338
• Molecular Formular: C12H16ClN3
• Molecular Mass: 237.72854
• Monoisotopic Mass: 237.10327521
• SMILES: Cl.c1c(c2c(cc1)c(cc(n2)C)NN)CC
• Canonical SMILES: CCc1cccc2c1nc(C)cc2NN.Cl
• InChI: InChI=1S/C12H15N3.ClH/c1-3-9-5-4-6-10-11(15-13)7-8(2)14-12(9)10;/h4-7H,3,13H2,1-2H3,(H,14,15);1H
• InChIKey: POIHEHOSRPIYIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-ethyl-4-hydrazinyl-2-methylquinoline hydrochloride
• IUPAC Traditional name: 8-ethyl-4-hydrazinyl-2-methylquinoline hydrochloride
• Synonyms: 8-ETHYL-4-HYDRAZINO-2-METHYLQUINOLINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1124159
• LogD (pH = 7.4): 2.5055134
• Log P: 2.6119032
• Molar Refractivity: 63.9197 cm^3
• Polarizability: 24.935392 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%