2-(4-cyanophenoxy)propanehydrazide

• ChemBase ID: 233713
• Molecular Formular: C10H11N3O2
• Molecular Mass: 205.21324
• Monoisotopic Mass: 205.08512661
• SMILES: C(=O)(C(Oc1ccc(C#N)cc1)C)NN
• Canonical SMILES: NNC(=O)C(Oc1ccc(cc1)C#N)C
• InChI: InChI=1S/C10H11N3O2/c1-7(10(14)13-12)15-9-4-2-8(6-11)3-5-9/h2-5,7H,12H2,1H3,(H,13,14)
• InChIKey: SIPGZMLRKJAGEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD02254114
• PubChem SID: 164289623
• PubChem CID: 3510473

CALCULATED PROPERTIES

• Acid pKa: 11.2799835
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.6136006
• LogD (pH = 7.4): 0.6149304
• Log P: 0.615
• Molar Refractivity: 55.1276 cm^3
• Polarizability: 21.010855 Å^3
• Polar Surface Area: 88.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): 0.276

Product Information

• Purity: 95%