3-methoxynaphthalene-2-carbohydrazide

• ChemBase ID: 57868
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: c1ccc2c(c1)cc(c(c2)OC)C(=O)NN
• Canonical SMILES: NNC(=O)c1cc2ccccc2cc1OC
• InChI: InChI=1S/C12H12N2O2/c1-16-11-7-9-5-3-2-4-8(9)6-10(11)12(15)14-13/h2-7H,13H2,1H3,(H,14,15)
• InChIKey: CTKACORQPVVYIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxynaphthalene-2-carbohydrazide
• IUPAC Traditional name: 3-methoxynaphthalene-2-carbohydrazide
• Synonyms: 3-Methoxy-2-naphthohydrazide

Database IDs

• MDL Number: MFCD09752019
• PubChem SID: 162062631
• PubChem CID: 293169

CALCULATED PROPERTIES

• Acid pKa: 13.574933
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3584653
• LogD (pH = 7.4): 1.3592062
• Log P: 1.3592159
• Molar Refractivity: 62.5339 cm^3
• Polarizability: 24.614937 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false