N'-[(1E)-2-chloroethylidene]-2-methylpropanehydrazide

• ChemBase ID: 232713
• Molecular Formular: C6H11ClN2O
• Molecular Mass: 162.61734
• Monoisotopic Mass: 162.05599066
• SMILES: C(=O)(N/N=C/CCl)C(C)C
• Canonical SMILES: ClC/C=N/NC(=O)C(C)C
• InChI: InChI=1S/C6H11ClN2O/c1-5(2)6(10)9-8-4-3-7/h4-5H,3H2,1-2H3,(H,9,10)/b8-4+
• InChIKey: OFFGSEAQUGLRRQ-XBXARRHUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-[(1E)-2-chloroethylidene]-2-methylpropanehydrazide
• IUPAC Traditional name: N'-[(1E)-2-chloroethylidene]-2-methylpropanehydrazide
• Synonyms: N'-[(1E)-2-chloroethylidene]-2-methylpropanohydrazide

Database IDs

• MDL Number: MFCD04623509
• PubChem SID: 164288623
• PubChem CID: 9630870

CALCULATED PROPERTIES

• Acid pKa: 11.881616
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8220816
• LogD (pH = 7.4): 0.82210296
• Log P: 0.82211614
• Molar Refractivity: 40.5959 cm^3
• Polarizability: 15.602776 Å^3
• Polar Surface Area: 41.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.133

Product Information

• Purity: 95%