2-hydrazinyl-3-methylquinoline

• ChemBase ID: 247187
• Molecular Formular: C10H11N3
• Molecular Mass: 173.21444
• Monoisotopic Mass: 173.09529737
• SMILES: n1c(c(cc2c1cccc2)C)NN
• Canonical SMILES: NNc1nc2ccccc2cc1C
• InChI: InChI=1S/C10H11N3/c1-7-6-8-4-2-3-5-9(8)12-10(7)13-11/h2-6H,11H2,1H3,(H,12,13)
• InChIKey: XECUAQMMBPDLGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-3-methylquinoline
• IUPAC Traditional name: 2-hydrazinyl-3-methylquinoline
• Synonyms: 2-hydrazinyl-3-methylquinoline

Database IDs

• MDL Number: MFCD09897182
• PubChem SID: 164303097
• PubChem CID: 14126769

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.85435283
• LogD (pH = 7.4): 1.8881996
• Log P: 2.630422
• Molar Refractivity: 55.0407 cm^3
• Polarizability: 21.32564 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.623

Product Information

• Purity: 95%