N'-(oxolan-3-yl)(tert-butoxy)carbohydrazide

• ChemBase ID: 798252
• Molecular Formular: C9H18N2O3
• Molecular Mass: 202.25082
• Monoisotopic Mass: 202.13174245
• SMILES: N(NC1COCC1)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NNC1COCC1
• InChI: InChI=1S/C9H18N2O3/c1-9(2,3)14-8(12)11-10-7-4-5-13-6-7/h7,10H,4-6H2,1-3H3,(H,11,12)
• InChIKey: ULVJAWQDXDOHTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(oxolan-3-yl)(tert-butoxy)carbohydrazide
• IUPAC Traditional name: N'-(oxolan-3-yl)tert-butoxycarbohydrazide
• Synonyms: tert-butyl 2-(tetrahydrofuran-3-yl)hydrazinecarboxylate

Database IDs

• CAS Number: 1219018-82-2

CALCULATED PROPERTIES

• Acid pKa: 12.685748
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.46953252
• LogD (pH = 7.4): 0.47136375
• Log P: 0.47138917
• Molar Refractivity: 62.3168 cm^3
• Polarizability: 20.646313 Å^3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%