(2-hydrazinylquinolin-3-yl)methanol

• ChemBase ID: 239980
• Molecular Formular: C10H11N3O
• Molecular Mass: 189.21384
• Monoisotopic Mass: 189.09021199
• SMILES: n1c(c(cc2c1cccc2)CO)NN
• Canonical SMILES: NNc1nc2ccccc2cc1CO
• InChI: InChI=1S/C10H11N3O/c11-13-10-8(6-14)5-7-3-1-2-4-9(7)12-10/h1-5,14H,6,11H2,(H,12,13)
• InChIKey: ARZDXZHKHXNFHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-hydrazinylquinolin-3-yl)methanol
• IUPAC Traditional name: (2-hydrazinylquinolin-3-yl)methanol
• Synonyms: (2-hydrazinylquinolin-3-yl)methanol

Database IDs

• MDL Number: MFCD09959880
• PubChem SID: 164295890
• PubChem CID: 46741286

CALCULATED PROPERTIES

• Acid pKa: 14.613769
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.19585222
• LogD (pH = 7.4): 1.0858399
• Log P: 1.3496509
• Molar Refractivity: 56.8154 cm^3
• Polarizability: 21.971762 Å^3
• Polar Surface Area: 71.17 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.536

Product Information

• Purity: 95%