2-(propan-2-yloxy)acetohydrazide

• ChemBase ID: 23556
• Molecular Formular: C5H12N2O2
• Molecular Mass: 132.16098
• Monoisotopic Mass: 132.08987763
• SMILES: C(=O)(NN)COC(C)C
• Canonical SMILES: NNC(=O)COC(C)C
• InChI: InChI=1S/C5H12N2O2/c1-4(2)9-3-5(8)7-6/h4H,3,6H2,1-2H3,(H,7,8)
• InChIKey: HCPZUDXZHRFUFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yloxy)acetohydrazide
• IUPAC Traditional name: 2-isopropoxyacetohydrazide
• Synonyms: 2-Isopropoxyacetohydrazide

Database IDs

• CAS Number: 898747-67-6
• MDL Number: MFCD08689409
• PubChem SID: 160986863
• PubChem CID: 16641271

CALCULATED PROPERTIES

• Acid pKa: 12.699674
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.72975254
• LogD (pH = 7.4): -0.72753304
• Log P: -0.7275026
• Molar Refractivity: 34.5708 cm^3
• Polarizability: 13.3093605 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false