4-hydrazinyl-8-methylquinoline

• ChemBase ID: 309659
• Molecular Formular: C10H11N3
• Molecular Mass: 173.21444
• Monoisotopic Mass: 173.09529737
• SMILES: c12c(nccc1NN)c(ccc2)C
• Canonical SMILES: NNc1ccnc2c1cccc2C
• InChI: InChI=1S/C10H11N3/c1-7-3-2-4-8-9(13-11)5-6-12-10(7)8/h2-6H,11H2,1H3,(H,12,13)
• InChIKey: SUSYTHMNOJICKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-8-methylquinoline
• IUPAC Traditional name: 4-hydrazinyl-8-methylquinoline
• Synonyms: 4-hydrazino-8-methylquinoline

Database IDs

• CAS Number: 68500-35-6
• MDL Number: MFCD00272470

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0742315
• LogD (pH = 7.4): 2.0052335
• Log P: 2.0359645
• Molar Refractivity: 54.7272 cm^3
• Polarizability: 21.32515 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%