2-(naphthalen-1-yloxy)acetohydrazide

• ChemBase ID: 21646
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: C(=O)(NN)COc1c2c(ccc1)cccc2
• Canonical SMILES: NNC(=O)COc1cccc2c1cccc2
• InChI: InChI=1S/C12H12N2O2/c13-14-12(15)8-16-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8,13H2,(H,14,15)
• InChIKey: PLYHRLDIWQEXBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-1-yloxy)acetohydrazide
• IUPAC Traditional name: 2-(naphthalen-1-yloxy)acetohydrazide
• Synonyms: 2-(1-Naphthyloxy)acetohydrazide; 2-(Naphthoxy)acetic acid hydrazide 98%

Database IDs

• CAS Number: 24310-15-4
• MDL Number: MFCD00156157
• PubChem SID: 160984953
• PubChem CID: 729938

CALCULATED PROPERTIES

• Acid pKa: 12.506345
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1781983
• LogD (pH = 7.4): 1.1795954
• Log P: 1.1796163
• Molar Refractivity: 61.3623 cm^3
• Polarizability: 24.839218 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful; IRRITANT
• TSCA Listed: false