2-(naphthalen-2-yloxy)acetohydrazide

• ChemBase ID: 21601
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: C(=O)(NN)COc1cc2c(cc1)cccc2
• Canonical SMILES: NNC(=O)COc1ccc2c(c1)cccc2
• InChI: InChI=1S/C12H12N2O2/c13-14-12(15)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8,13H2,(H,14,15)
• InChIKey: QSMAUHGVXYUJKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yloxy)acetohydrazide
• IUPAC Traditional name: 2-(naphthalen-2-yloxy)acetohydrazide
• Synonyms: 2-(2-Naphthyloxy)acetohydrazide

Database IDs

• CAS Number: 36304-47-9
• MDL Number: MFCD00553736
• PubChem SID: 160984908
• PubChem CID: 720883

CALCULATED PROPERTIES

• Acid pKa: 12.459771
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1781983
• LogD (pH = 7.4): 1.179595
• Log P: 1.1796163
• Molar Refractivity: 61.3623 cm^3
• Polarizability: 24.835346 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.383

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%