N'-(oxan-4-yl)(tert-butoxy)carbohydrazide

• ChemBase ID: 289912
• Molecular Formular: C10H20N2O3
• Molecular Mass: 216.2774
• Monoisotopic Mass: 216.14739251
• SMILES: O=C(NNC1CCOCC1)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NNC1CCOCC1
• InChI: InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-11-8-4-6-14-7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)
• InChIKey: KBMQRTAUUQMJGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(oxan-4-yl)(tert-butoxy)carbohydrazide
• IUPAC Traditional name: N'-(oxan-4-yl)tert-butoxycarbohydrazide
• Synonyms: tert-Butyl 2-(tetrahydro-2H-pyran-4-yl)hydrazinecarboxylate

Database IDs

• CAS Number: 693287-79-5
• PubChem SID: 180675443
• PubChem CID: 45092245

CALCULATED PROPERTIES

• Acid pKa: 12.776143
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.5223108
• LogD (pH = 7.4): 0.5312323
• Log P: 0.53134894
• Molar Refractivity: 67.1822 cm^3
• Polarizability: 22.476694 Å^3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%