4-hydrazinyl-7-methylquinoline hydrochloride

• ChemBase ID: 805218
• Molecular Formular: C10H12ClN3
• Molecular Mass: 209.67538
• Monoisotopic Mass: 209.07197508
• SMILES: Cl.c1(cc2c(cc1)c(ccn2)NN)C
• Canonical SMILES: NNc1ccnc2c1ccc(c2)C.Cl
• InChI: InChI=1S/C10H11N3.ClH/c1-7-2-3-8-9(13-11)4-5-12-10(8)6-7;/h2-6H,11H2,1H3,(H,12,13);1H
• InChIKey: CXPJCOCDINIRJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-7-methylquinoline hydrochloride
• IUPAC Traditional name: 4-hydrazinyl-7-methylquinoline hydrochloride
• Synonyms: 4-HYDRAZINO-7-METHYLQUINOLINE HYDROCHLORIDE

Database IDs

• CAS Number: 68500-34-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8397376
• LogD (pH = 7.4): 1.9712362
• Log P: 2.0359645
• Molar Refractivity: 54.7272 cm^3
• Polarizability: 21.323278 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%