N'-acetyl-2-chloropropanehydrazide

• ChemBase ID: 248692
• Molecular Formular: C5H9ClN2O2
• Molecular Mass: 164.59016
• Monoisotopic Mass: 164.03525522
• SMILES: C(=O)(NNC(=O)C)C(Cl)C
• Canonical SMILES: CC(=O)NNC(=O)C(Cl)C
• InChI: InChI=1S/C5H9ClN2O2/c1-3(6)5(10)8-7-4(2)9/h3H,1-2H3,(H,7,9)(H,8,10)
• InChIKey: XAWXRQDEZQZNHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-acetyl-2-chloropropanehydrazide
• IUPAC Traditional name: N'-acetyl-2-chloropropanehydrazide
• Synonyms: N'-acetyl-2-chloropropanehydrazide

Database IDs

• MDL Number: MFCD12094711
• PubChem SID: 164304602
• PubChem CID: 15120473

CALCULATED PROPERTIES

• Acid pKa: 7.881803
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.5152233
• LogD (pH = 7.4): -0.62140244
• Log P: -0.5136296
• Molar Refractivity: 36.5789 cm^3
• Polarizability: 14.356215 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 156 - 158°C
• Hydrophobicity(logP): -0.526

Product Information

• Purity: 95%