4-hydrazinyl-6-methylquinoline hydrochloride

• ChemBase ID: 805215
• Molecular Formular: C10H12ClN3
• Molecular Mass: 209.67538
• Monoisotopic Mass: 209.07197508
• SMILES: Cl.c1cc2c(cc1C)c(ccn2)NN
• Canonical SMILES: NNc1ccnc2c1cc(C)cc2.Cl
• InChI: InChI=1S/C10H11N3.ClH/c1-7-2-3-9-8(6-7)10(13-11)4-5-12-9;/h2-6H,11H2,1H3,(H,12,13);1H
• InChIKey: IHTBPESPARVWTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-6-methylquinoline hydrochloride
• IUPAC Traditional name: 4-hydrazinyl-6-methylquinoline hydrochloride
• Synonyms: 4-HYDRAZINO-6-METHYLQUINOLINE HYDROCHLORIDE

Database IDs

• CAS Number: 68500-33-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.99751604
• LogD (pH = 7.4): 1.997041
• Log P: 2.0359645
• Molar Refractivity: 54.7272 cm^3
• Polarizability: 21.323578 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%