2-(3-methoxyphenoxy)propanehydrazide

• ChemBase ID: 27212
• Molecular Formular: C10H14N2O3
• Molecular Mass: 210.22976
• Monoisotopic Mass: 210.10044232
• SMILES: C(=O)(C(Oc1cc(OC)ccc1)C)NN
• Canonical SMILES: NNC(=O)C(Oc1cccc(c1)OC)C
• InChI: InChI=1S/C10H14N2O3/c1-7(10(13)12-11)15-9-5-3-4-8(6-9)14-2/h3-7H,11H2,1-2H3,(H,12,13)
• InChIKey: QXYABCWQJLSSAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenoxy)propanehydrazide
• IUPAC Traditional name: 2-(3-methoxyphenoxy)propanehydrazide
• Synonyms: 2-(3-Methoxyphenoxy)propanohydrazide

Database IDs

• CAS Number: 588678-30-2
• MDL Number: MFCD01930250
• PubChem SID: 160990519
• PubChem CID: 3800651

CALCULATED PROPERTIES

• Acid pKa: 11.994677
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.5998347
• LogD (pH = 7.4): 0.6012049
• Log P: 0.6012325
• Molar Refractivity: 55.8692 cm^3
• Polarizability: 21.702665 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false