2-(naphthalen-1-yloxy)propanehydrazide

• ChemBase ID: 27207
• Molecular Formular: C13H14N2O2
• Molecular Mass: 230.26246
• Monoisotopic Mass: 230.1055277
• SMILES: C(=O)(C(Oc1c2c(ccc1)cccc2)C)NN
• Canonical SMILES: NNC(=O)C(Oc1cccc2c1cccc2)C
• InChI: InChI=1S/C13H14N2O2/c1-9(13(16)15-14)17-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,14H2,1H3,(H,15,16)
• InChIKey: MJHKQUIMTCUMQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-1-yloxy)propanehydrazide
• IUPAC Traditional name: 2-(naphthalen-1-yloxy)propanehydrazide
• Synonyms: 2-(1-Naphthyloxy)propanohydrazide

Database IDs

• MDL Number: MFCD00553739
• PubChem SID: 160990514
• PubChem CID: 2832643

CALCULATED PROPERTIES

• Acid pKa: 12.5268545
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7469829
• LogD (pH = 7.4): 1.74836
• Log P: 1.7483805
• Molar Refractivity: 65.8562 cm^3
• Polarizability: 26.684734 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false