2-(naphthalen-2-yl)acetohydrazide

• ChemBase ID: 258825
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: C(=O)(NN)Cc1cc2c(cc1)cccc2
• Canonical SMILES: NNC(=O)Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C12H12N2O/c13-14-12(15)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8,13H2,(H,14,15)
• InChIKey: DDSJXLAYUZQBAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 57676-55-8
• MDL Number: MFCD00021652
• PubChem SID: 164314735
• PubChem CID: 256827

CALCULATED PROPERTIES

• Acid pKa: 13.152907
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4952796
• LogD (pH = 7.4): 1.4970295
• Log P: 1.4970526
• Molar Refractivity: 60.1221 cm^3
• Polarizability: 24.196976 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 1.318

Product Information

• Purity: 95%