2-ethylhexanehydrazide

• ChemBase ID: 27345
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: C(=O)(NN)C(CC)CCCC
• Canonical SMILES: CCCCC(C(=O)NN)CC
• InChI: InChI=1S/C8H18N2O/c1-3-5-6-7(4-2)8(11)10-9/h7H,3-6,9H2,1-2H3,(H,10,11)
• InChIKey: WOTFFLFEMKUWOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethylhexanehydrazide
• IUPAC Traditional name: 2-ethylhexanehydrazide
• Synonyms: 2-Ethylhexanohydrazide

Database IDs

• MDL Number: MFCD03014512
• PubChem SID: 160990652
• PubChem CID: 3496881

CALCULATED PROPERTIES

• Acid pKa: 13.542757
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6925174
• LogD (pH = 7.4): 1.6950008
• Log P: 1.6950327
• Molar Refractivity: 46.5554 cm^3
• Polarizability: 18.098278 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false