2,2-dimethylpropanehydrazide

• ChemBase ID: 52222
• Molecular Formular: C5H12N2O
• Molecular Mass: 116.16158
• Monoisotopic Mass: 116.09496301
• SMILES: C(=O)(C(C)(C)C)NN
• Canonical SMILES: NNC(=O)C(C)(C)C
• InChI: InChI=1S/C5H12N2O/c1-5(2,3)4(8)7-6/h6H2,1-3H3,(H,7,8)
• InChIKey: OARJXUPBZNUYBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethylpropanehydrazide
• IUPAC Traditional name: 2,2-dimethylpropanehydrazide
• Synonyms: Pivalic acid hydrazide; 2,2-dimethylpropanohydrazide

Database IDs

• CAS Number: 42826-42-6
• MDL Number: MFCD01310839
• PubChem SID: 162056985
• PubChem CID: 545147

CALCULATED PROPERTIES

• Acid pKa: 13.3768
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.47028694
• LogD (pH = 7.4): 0.47274056
• Log P: 0.47277242
• Molar Refractivity: 32.6524 cm^3
• Polarizability: 12.581209 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 66-67°C
• Hydrophobicity(logP): -0.387

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%