2-ethoxypropanehydrazide hydrochloride

• ChemBase ID: 21874
• Molecular Formular: C5H13ClN2O2
• Molecular Mass: 168.62192
• Monoisotopic Mass: 168.06655535
• SMILES: C(=O)(NN)C(OCC)C.Cl
• Canonical SMILES: CC(C(=O)NN)OCC.Cl
• InChI: InChI=1S/C5H12N2O2.ClH/c1-3-9-4(2)5(8)7-6;/h4H,3,6H2,1-2H3,(H,7,8);1H
• InChIKey: WKMFWIXMOKIDDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxypropanehydrazide hydrochloride
• IUPAC Traditional name: 2-ethoxypropanehydrazide hydrochloride
• Synonyms: 2-Ethoxypropanohydrazide hydrochloride

Database IDs

• MDL Number: MFCD08134366
• PubChem SID: 160985181
• PubChem CID: 16641267

CALCULATED PROPERTIES

• Acid pKa: 12.658037
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.5775311
• LogD (pH = 7.4): -0.57534367
• Log P: -0.5753134
• Molar Refractivity: 34.6459 cm^3
• Polarizability: 13.3093605 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