2-hydroxy-2-methylpropanehydrazide

• ChemBase ID: 27348
• Molecular Formular: C4H10N2O2
• Molecular Mass: 118.1344
• Monoisotopic Mass: 118.07422757
• SMILES: C(=O)(C(O)(C)C)NN
• Canonical SMILES: NNC(=O)C(O)(C)C
• InChI: InChI=1S/C4H10N2O2/c1-4(2,8)3(7)6-5/h8H,5H2,1-2H3,(H,6,7)
• InChIKey: HXRPUTVWJDNSDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-2-methylpropanehydrazide
• IUPAC Traditional name: 2-hydroxy-2-methylpropanehydrazide
• Synonyms: 2-Hydroxy-2-methylpropanohydrazide

Database IDs

• CAS Number: 42596-46-3
• MDL Number: MFCD00031406
• PubChem SID: 160990655
• PubChem CID: 3866132

CALCULATED PROPERTIES

• Acid pKa: 12.438738
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.1435801
• LogD (pH = 7.4): -1.1424994
• Log P: -1.1424819
• Molar Refractivity: 29.8594 cm^3
• Polarizability: 11.417641 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false