4-hydrazinyl-2,6-dimethylquinoline hydrochloride

• ChemBase ID: 805019
• Molecular Formular: C11H14ClN3
• Molecular Mass: 223.70196
• Monoisotopic Mass: 223.08762514
• SMILES: Cl.c1cc2c(cc1C)c(cc(n2)C)NN
• Canonical SMILES: NNc1cc(C)nc2c1cc(C)cc2.Cl
• InChI: InChI=1S/C11H13N3.ClH/c1-7-3-4-10-9(5-7)11(14-12)6-8(2)13-10;/h3-6H,12H2,1-2H3,(H,13,14);1H
• InChIKey: RNUZWWWRTRLRCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-2,6-dimethylquinoline hydrochloride
• IUPAC Traditional name: 4-hydrazinyl-2,6-dimethylquinoline hydrochloride
• Synonyms: 2,6-DIMETHYL-4-HYDRAZINOQUINOLINE HYDROCHLORIDE

Database IDs

• CAS Number: 29125-48-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.552429
• LogD (pH = 7.4): 2.018928
• Log P: 2.1673346
• Molar Refractivity: 59.3187 cm^3
• Polarizability: 23.08745 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%