N'-methyl-N'-(naphthalen-1-yl)acetohydrazide

• ChemBase ID: 88409
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: N(C(=O)C)N(c1cccc2ccccc12)C
• Canonical SMILES: CC(=O)NN(c1cccc2c1cccc2)C
• InChI: InChI=1S/C13H14N2O/c1-10(16)14-15(2)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1-2H3,(H,14,16)
• InChIKey: DGIPHNGZEJBGDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-methyl-N'-(naphthalen-1-yl)acetohydrazide
• IUPAC Traditional name: N'-methyl-N'-(naphthalen-1-yl)acetohydrazide
• Synonyms: N'-Methyl-N'-(naphthalen-1-yl)acetohydrazide

Database IDs

• CAS Number: 483306-55-4
• PubChem SID: 162075367
• PubChem CID: 12006431

CALCULATED PROPERTIES

• Acid pKa: 13.925384
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1081731
• LogD (pH = 7.4): 2.108306
• Log P: 2.1083076
• Molar Refractivity: 74.402 cm^3
• Polarizability: 25.74042 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant