3-hydroxybutanehydrazide

• ChemBase ID: 27347
• Molecular Formular: C4H10N2O2
• Molecular Mass: 118.1344
• Monoisotopic Mass: 118.07422757
• SMILES: C(=O)(CC(O)C)NN
• Canonical SMILES: CC(CC(=O)NN)O
• InChI: InChI=1S/C4H10N2O2/c1-3(7)2-4(8)6-5/h3,7H,2,5H2,1H3,(H,6,8)
• InChIKey: NQIAZZNHEZXHQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxybutanehydrazide
• IUPAC Traditional name: 3-hydroxybutanehydrazide
• Synonyms: 3-Hydroxybutanohydrazide

Database IDs

• CAS Number: 24534-93-8
• MDL Number: MFCD00087370
• PubChem SID: 160990654
• PubChem CID: 351831

CALCULATED PROPERTIES

• Acid pKa: 12.927787
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.4916934
• LogD (pH = 7.4): -1.4904416
• Log P: -1.4904243
• Molar Refractivity: 29.7704 cm^3
• Polarizability: 11.417641 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false