2-(4-ethylphenoxy)propanehydrazide

• ChemBase ID: 27203
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: C(=O)(C(Oc1ccc(cc1)CC)C)NN
• Canonical SMILES: CCc1ccc(cc1)OC(C(=O)NN)C
• InChI: InChI=1S/C11H16N2O2/c1-3-9-4-6-10(7-5-9)15-8(2)11(14)13-12/h4-8H,3,12H2,1-2H3,(H,13,14)
• InChIKey: PWOLWSDGPSFVOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-ethylphenoxy)propanehydrazide
• IUPAC Traditional name: 2-(4-ethylphenoxy)propanehydrazide
• Synonyms: 2-(4-Ethylphenoxy)propanohydrazide

Database IDs

• CAS Number: 669705-42-4
• MDL Number: MFCD03423131
• PubChem SID: 160990510
• PubChem CID: 3686171

CALCULATED PROPERTIES

• Acid pKa: 12.463148
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7154963
• LogD (pH = 7.4): 1.7168728
• Log P: 1.7168938
• Molar Refractivity: 59.0482 cm^3
• Polarizability: 22.768164 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false