ethyl 4-hydrazinylbenzoate

• ChemBase ID: 287616
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: O=C(OCC)c1ccc(NN)cc1
• Canonical SMILES: CCOC(=O)c1ccc(cc1)NN
• InChI: InChI=1S/C9H12N2O2/c1-2-13-9(12)7-3-5-8(11-10)6-4-7/h3-6,11H,2,10H2,1H3
• InChIKey: JYYDHGMTXHCSKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-hydrazinylbenzoate
• IUPAC Traditional name: ethyl 4-hydrazinylbenzoate
• Synonyms: Ethyl 4-hydrazinylbenzoate; ethyl 4-hydrazinobenzoate

Database IDs

• CAS Number: 14685-90-6
• MDL Number: MFCD00278571
• PubChem SID: 180673147
• PubChem CID: 792992

CALCULATED PROPERTIES

• Acid pKa: 19.106386
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5617905
• LogD (pH = 7.4): 1.7226825
• Log P: 1.7251734
• Molar Refractivity: 52.5386 cm^3
• Polarizability: 19.15438 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%