4-hydrazinyl-2,5,7-trimethylquinoline hydrochloride

• ChemBase ID: 805203
• Molecular Formular: C12H16ClN3
• Molecular Mass: 237.72854
• Monoisotopic Mass: 237.10327521
• SMILES: Cl.c1(cc2c(c(c1)C)c(cc(n2)C)NN)C
• Canonical SMILES: NNc1cc(C)nc2c1c(C)cc(c2)C.Cl
• InChI: InChI=1S/C12H15N3.ClH/c1-7-4-8(2)12-10(5-7)14-9(3)6-11(12)15-13;/h4-6H,13H2,1-3H3,(H,14,15);1H
• InChIKey: CSXWRJHHMJDRDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-2,5,7-trimethylquinoline hydrochloride
• IUPAC Traditional name: 4-hydrazinyl-2,5,7-trimethylquinoline hydrochloride
• Synonyms: 4-HYDRAZINO-2,5,7-TRIMETHYLQUINOLINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.9318748
• LogD (pH = 7.4): 2.4622612
• Log P: 2.680756
• Molar Refractivity: 64.3599 cm^3
• Polarizability: 24.85161 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%