4-hydrazinyl-8-methoxy-2-methylquinoline hydrochloride

• ChemBase ID: 805220
• Molecular Formular: C11H14ClN3O
• Molecular Mass: 239.70136
• Monoisotopic Mass: 239.08253976
• SMILES: Cl.c1c(c2c(cc1)c(cc(n2)C)NN)OC
• Canonical SMILES: COc1cccc2c1nc(C)cc2NN.Cl
• InChI: InChI=1S/C11H13N3O.ClH/c1-7-6-9(14-12)8-4-3-5-10(15-2)11(8)13-7;/h3-6H,12H2,1-2H3,(H,13,14);1H
• InChIKey: LONOMOWZIKUYBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-8-methoxy-2-methylquinoline hydrochloride
• IUPAC Traditional name: 4-hydrazinyl-8-methoxy-2-methylquinoline hydrochloride
• Synonyms: 4-HYDRAZINO-8-METHOXY-2-METHYLQUINOLINE HYDROCHLORIDE

Database IDs

• CAS Number: 49612-19-3

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0902101
• LogD (pH = 7.4): 1.4895838
• Log P: 1.4962419
• Molar Refractivity: 60.7407 cm^3
• Polarizability: 23.80401 Å^3
• Polar Surface Area: 60.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%