5-chloro-4-hydrazinyl-2,8-dimethylquinoline hydrochloride

• ChemBase ID: 804488
• Molecular Formular: C11H13Cl2N3
• Molecular Mass: 258.14702
• Monoisotopic Mass: 257.04865279
• SMILES: Cl.c1c(c2c(c(c1)Cl)c(cc(n2)C)NN)C
• Canonical SMILES: NNc1cc(C)nc2c1c(Cl)ccc2C.Cl
• InChI: InChI=1S/C11H12ClN3.ClH/c1-6-3-4-8(12)10-9(15-13)5-7(2)14-11(6)10;/h3-5H,13H2,1-2H3,(H,14,15);1H
• InChIKey: JZVWPLLFUPPCJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-4-hydrazinyl-2,8-dimethylquinoline hydrochloride
• IUPAC Traditional name: 5-chloro-4-hydrazinyl-2,8-dimethylquinoline hydrochloride
• Synonyms: 5-CHLORO-2,8-DIMETHYL-4-HYDRAZINOQUINOLINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7629815
• LogD (pH = 7.4): 2.7406034
• Log P: 2.7713792
• Molar Refractivity: 64.1235 cm^3
• Polarizability: 24.904879 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%