3,3-dimethylbutanehydrazide

• ChemBase ID: 269099
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(NN)CC(C)(C)C
• Canonical SMILES: NNC(=O)CC(C)(C)C
• InChI: InChI=1S/C6H14N2O/c1-6(2,3)4-5(9)8-7/h4,7H2,1-3H3,(H,8,9)
• InChIKey: SACSRXVRYAIYQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-dimethylbutanehydrazide
• IUPAC Traditional name: 3,3-dimethylbutanehydrazide
• Synonyms: 3,3-dimethylbutanehydrazide

Database IDs

• MDL Number: MFCD03422930
• PubChem SID: 164325009
• PubChem CID: 4346762

CALCULATED PROPERTIES

• Acid pKa: 13.503395
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.40285844
• LogD (pH = 7.4): 0.4053742
• Log P: 0.4054067
• Molar Refractivity: 37.2016 cm^3
• Polarizability: 14.41845 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 51 - 53°C
• Hydrophobicity(logP): 0.232

Product Information

• Purity: 95%