2-ethoxybutanehydrazide hydrochloride

• ChemBase ID: 21898
• Molecular Formular: C6H15ClN2O2
• Molecular Mass: 182.6485
• Monoisotopic Mass: 182.08220541
• SMILES: C(=O)(NN)C(OCC)CC.Cl
• Canonical SMILES: CCC(C(=O)NN)OCC.Cl
• InChI: InChI=1S/C6H14N2O2.ClH/c1-3-5(10-4-2)6(9)8-7;/h5H,3-4,7H2,1-2H3,(H,8,9);1H
• InChIKey: REKRCTCXSFTMRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxybutanehydrazide hydrochloride
• IUPAC Traditional name: 2-ethoxybutanehydrazide hydrochloride
• Synonyms: 2-Ethoxybutanohydrazide hydrochloride

Database IDs

• MDL Number: MFCD08559374
• PubChem SID: 160985205
• PubChem CID: 16641320

CALCULATED PROPERTIES

• Acid pKa: 12.742688
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.05500622
• LogD (pH = 7.4): -0.052820798
• Log P: -0.05279097
• Molar Refractivity: 39.1699 cm^3
• Polarizability: 15.138 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false