2-(4-methoxyphenoxy)propanehydrazide

• ChemBase ID: 27213
• Molecular Formular: C10H14N2O3
• Molecular Mass: 210.22976
• Monoisotopic Mass: 210.10044232
• SMILES: C(=O)(C(Oc1ccc(cc1)OC)C)NN
• Canonical SMILES: NNC(=O)C(Oc1ccc(cc1)OC)C
• InChI: InChI=1S/C10H14N2O3/c1-7(10(13)12-11)15-9-5-3-8(14-2)4-6-9/h3-7H,11H2,1-2H3,(H,12,13)
• InChIKey: HKQMXFGVOKBZSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenoxy)propanehydrazide
• IUPAC Traditional name: 2-(4-methoxyphenoxy)propanehydrazide
• Synonyms: 2-(4-Methoxyphenoxy)propanohydrazide

Database IDs

• CAS Number: 213412-32-9
• MDL Number: MFCD02271094
• PubChem SID: 160990520
• PubChem CID: 3267138

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): 0.5998347
• LogD (pH = 7.4): 0.60120463
• Log P: 0.6012325
• Molar Refractivity: 55.8692 cm^3
• Polarizability: 21.70177 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 11.983314
• H Acceptors: 4

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false