4-hydrazinyl-2-methylquinoline hydrochloride

• ChemBase ID: 805211
• Molecular Formular: C10H12ClN3
• Molecular Mass: 209.67538
• Monoisotopic Mass: 209.07197508
• SMILES: Cl.c1cc2c(cc1)c(cc(n2)C)NN
• Canonical SMILES: NNc1cc(C)nc2c1cccc2.Cl
• InChI: InChI=1S/C10H11N3.ClH/c1-7-6-10(13-11)8-4-2-3-5-9(8)12-7;/h2-6H,11H2,1H3,(H,12,13);1H
• InChIKey: VJHGSVNMZWGJNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1240484-32-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.12278228
• LogD (pH = 7.4): 1.5344769
• Log P: 1.6539133
• Molar Refractivity: 54.2775 cm^3
• Polarizability: 21.323586 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%