2-ethoxyacetohydrazide hydrochloride

• ChemBase ID: 21501
• Molecular Formular: C4H11ClN2O2
• Molecular Mass: 154.59534
• Monoisotopic Mass: 154.05090528
• SMILES: C(=O)(NN)COCC.Cl
• Canonical SMILES: CCOCC(=O)NN.Cl
• InChI: InChI=1S/C4H10N2O2.ClH/c1-2-8-3-4(7)6-5;/h2-3,5H2,1H3,(H,6,7);1H
• InChIKey: QJHKFYAAHZNVJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxyacetohydrazide hydrochloride
• IUPAC Traditional name: 2-ethoxyacetohydrazide hydrochloride
• Synonyms: 2-Ethoxyacetohydrazide hydrochloride

Database IDs

• MDL Number: MFCD08559360
• PubChem SID: 160984808
• PubChem CID: 16641296

CALCULATED PROPERTIES

• Acid pKa: 12.587734
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1463277
• LogD (pH = 7.4): -1.1441088
• Log P: -1.1440777
• Molar Refractivity: 30.152 cm^3
• Polarizability: 11.485321 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false