N'-(2-chloroacetyl)-2,2-dimethylpropanehydrazide

• ChemBase ID: 283401
• Molecular Formular: C7H13ClN2O2
• Molecular Mass: 192.64332
• Monoisotopic Mass: 192.06655535
• SMILES: C(=O)(NNC(=O)CCl)C(C)(C)C
• Canonical SMILES: ClCC(=O)NNC(=O)C(C)(C)C
• InChI: InChI=1S/C7H13ClN2O2/c1-7(2,3)6(12)10-9-5(11)4-8/h4H2,1-3H3,(H,9,11)(H,10,12)
• InChIKey: ZBWQOEDUGLTWDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2-chloroacetyl)-2,2-dimethylpropanehydrazide
• IUPAC Traditional name: N'-(2-chloroacetyl)-2,2-dimethylpropanehydrazide
• Synonyms: N'-(2-chloroacetyl)-2,2-dimethylpropanehydrazide

Database IDs

• MDL Number: MFCD18916812
• PubChem SID: 180668932
• PubChem CID: 54595759

CALCULATED PROPERTIES

• Acid pKa: 8.225338
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.7164191
• LogD (pH = 7.4): 0.6639634
• Log P: 0.7171425
• Molar Refractivity: 45.7874 cm^3
• Polarizability: 17.97961 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.182

Product Information

• Purity: 95%