2-chloro-N'-propanoylpropanehydrazide

• ChemBase ID: 273244
• Molecular Formular: C6H11ClN2O2
• Molecular Mass: 178.61674
• Monoisotopic Mass: 178.05090528
• SMILES: C(=O)(NNC(=O)CC)C(Cl)C
• Canonical SMILES: CCC(=O)NNC(=O)C(Cl)C
• InChI: InChI=1S/C6H11ClN2O2/c1-3-5(10)8-9-6(11)4(2)7/h4H,3H2,1-2H3,(H,8,10)(H,9,11)
• InChIKey: HZQQYPVVUGZPFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N'-propanoylpropanehydrazide
• IUPAC Traditional name: 2-chloro-N'-propanoylpropanehydrazide
• Synonyms: 2-chloro-N'-propanoylpropanehydrazide

Database IDs

• MDL Number: MFCD18483300
• PubChem SID: 164329154
• PubChem CID: 54592786

CALCULATED PROPERTIES

• Acid pKa: 8.040223
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.18579887
• LogD (pH = 7.4): 0.108542494
• Log P: 0.1869062
• Molar Refractivity: 41.2058 cm^3
• Polarizability: 16.165392 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157 - 159°C
• Hydrophobicity(logP): 0.0030

Product Information

• Purity: 95%