4-hydrazinyl-5,7-dimethylquinoline hydrochloride

• ChemBase ID: 805231
• Molecular Formular: C11H14ClN3
• Molecular Mass: 223.70196
• Monoisotopic Mass: 223.08762514
• SMILES: Cl.c1(cc2c(c(c1)C)c(ccn2)NN)C
• Canonical SMILES: NNc1ccnc2c1c(C)cc(c2)C.Cl
• InChI: InChI=1S/C11H13N3.ClH/c1-7-5-8(2)11-9(14-12)3-4-13-10(11)6-7;/h3-6H,12H2,1-2H3,(H,13,14);1H
• InChIKey: HIISSTJPSNXYKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-5,7-dimethylquinoline hydrochloride
• IUPAC Traditional name: 4-hydrazinyl-5,7-dimethylquinoline hydrochloride
• Synonyms: 5,7-DIMETHYL-4-HYDRAZINOQUINOLINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1555552
• LogD (pH = 7.4): 2.4079266
• Log P: 2.5493858
• Molar Refractivity: 59.7684 cm^3
• Polarizability: 23.08755 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%