ethyl 2-(4-hydrazinylphenyl)acetate hydrochloride

• ChemBase ID: 37559
• Molecular Formular: C10H15ClN2O2
• Molecular Mass: 230.6913
• Monoisotopic Mass: 230.08220541
• SMILES: c1cc(ccc1NN)CC(=O)OCC.Cl
• Canonical SMILES: CCOC(=O)Cc1ccc(cc1)NN.Cl
• InChI: InChI=1S/C10H14N2O2.ClH/c1-2-14-10(13)7-8-3-5-9(12-11)6-4-8;/h3-6,12H,2,7,11H2,1H3;1H
• InChIKey: DENTXBGEUCFNQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(4-hydrazinylphenyl)acetate hydrochloride
• IUPAC Traditional name: ethyl 2-(4-hydrazinylphenyl)acetate hydrochloride
• Synonyms: Ethyl (4-hydrazinophenyl)acetate hydrochloride

Database IDs

• MDL Number: MFCD10703534
• PubChem SID: 161000866
• PubChem CID: 21254104

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2806419
• LogD (pH = 7.4): 1.5016477
• Log P: 1.5053387
• Molar Refractivity: 56.59 cm^3
• Polarizability: 21.019527 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false