N'-acetyl-2-chloroacetohydrazide

• ChemBase ID: 71928
• Molecular Formular: C4H7ClN2O2
• Molecular Mass: 150.56358
• Monoisotopic Mass: 150.01960515
• SMILES: C(=O)(NNC(=O)C)CCl
• Canonical SMILES: CC(=O)NNC(=O)CCl
• InChI: InChI=1S/C4H7ClN2O2/c1-3(8)6-7-4(9)2-5/h2H2,1H3,(H,6,8)(H,7,9)
• InChIKey: DVMOPVMOVOSVQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-acetyl-2-chloroacetohydrazide
• IUPAC Traditional name: N'-acetyl-2-chloroacetohydrazide
• Synonyms: N'-Acetyl-2-chloroacetohydrazide

Database IDs

• CAS Number: 4002-21-5
• MDL Number: MFCD04035423
• PubChem SID: 162037239
• PubChem CID: 5153184

CALCULATED PROPERTIES

• Acid pKa: 7.745018
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0845757
• LogD (pH = 7.4): -1.2225541
• Log P: -1.0823939
• Molar Refractivity: 32.085 cm^3
• Polarizability: 12.553946 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157 - 159°C
• Hydrophobicity(logP): -1.055

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: 95%; 98%