2-(2-methoxyphenoxy)propanehydrazide

• ChemBase ID: 27211
• Molecular Formular: C10H14N2O3
• Molecular Mass: 210.22976
• Monoisotopic Mass: 210.10044232
• SMILES: C(=O)(C(Oc1c(OC)cccc1)C)NN
• Canonical SMILES: NNC(=O)C(Oc1ccccc1OC)C
• InChI: InChI=1S/C10H14N2O3/c1-7(10(13)12-11)15-9-6-4-3-5-8(9)14-2/h3-7H,11H2,1-2H3,(H,12,13)
• InChIKey: BVYINVRWOSTVLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 330177-32-7
• MDL Number: MFCD01931915
• PubChem SID: 160990518
• PubChem CID: 5001776

CALCULATED PROPERTIES

• Acid pKa: 12.013486
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.59983474
• LogD (pH = 7.4): 0.6012053
• Log P: 0.6012325
• Molar Refractivity: 55.8692 cm^3
• Polarizability: 21.70415 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