N'-[(benzyloxy)carbonyl]-N'-methyl(tert-butoxy)carbohydrazide

• ChemBase ID: 291219
• Molecular Formular: C14H20N2O4
• Molecular Mass: 280.3196
• Monoisotopic Mass: 280.14230713
• SMILES: O=C(N(C)NC(=O)OC(C)(C)C)OCc1ccccc1
• Canonical SMILES: CN(C(=O)OCc1ccccc1)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C14H20N2O4/c1-14(2,3)20-12(17)15-16(4)13(18)19-10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,15,17)
• InChIKey: QLENQJRALFNHGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-[(benzyloxy)carbonyl]-N'-methyl(tert-butoxy)carbohydrazide
• IUPAC Traditional name: N'-[(benzyloxy)carbonyl]-N'-methyltert-butoxycarbohydrazide
• Synonyms: 1-Benzyl 2-tert-butyl 1-methylhydrazine-1,2-dicarboxylate

Database IDs

• CAS Number: 127799-53-5
• PubChem SID: 180676750
• PubChem CID: 11033250

CALCULATED PROPERTIES

• Acid pKa: 11.247454
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6209526
• LogD (pH = 7.4): 2.6208987
• Log P: 2.6209533
• Molar Refractivity: 73.8939 cm^3
• Polarizability: 28.892809 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%