2-[(naphthalen-1-yl)amino]acetohydrazide

• ChemBase ID: 33215
• Molecular Formular: C12H13N3O
• Molecular Mass: 215.25112
• Monoisotopic Mass: 215.10586205
• SMILES: C(=O)(NN)CNc1c2c(ccc1)cccc2
• Canonical SMILES: NNC(=O)CNc1cccc2c1cccc2
• InChI: InChI=1S/C12H13N3O/c13-15-12(16)8-14-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,14H,8,13H2,(H,15,16)
• InChIKey: WIDCEKLDSLDEHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(naphthalen-1-yl)amino]acetohydrazide
• IUPAC Traditional name: 2-(naphthalen-1-ylamino)acetohydrazide
• Synonyms: 2-(1-Naphthylamino)acetohydrazide

Database IDs

• MDL Number: MFCD00447986
• PubChem SID: 160996522
• PubChem CID: 4270369

CALCULATED PROPERTIES

• Acid pKa: 13.054296
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.8089571
• LogD (pH = 7.4): 0.81005085
• Log P: 0.8100657
• Molar Refractivity: 65.0929 cm^3
• Polarizability: 25.312866 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false