N-[(tert-butoxy)carbonyl]-N'-phenyl(tert-butoxy)carbohydrazide

• ChemBase ID: 88410
• Molecular Formular: C16H24N2O4
• Molecular Mass: 308.37276
• Monoisotopic Mass: 308.17360726
• SMILES: N(Nc1ccccc1)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(N(C(=O)OC(C)(C)C)Nc1ccccc1)OC(C)(C)C
• InChI: InChI=1S/C16H24N2O4/c1-15(2,3)21-13(19)18(14(20)22-16(4,5)6)17-12-10-8-7-9-11-12/h7-11,17H,1-6H3
• InChIKey: OUFGITXACHEQGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(tert-butoxy)carbonyl]-N'-phenyl(tert-butoxy)carbohydrazide
• IUPAC Traditional name: N-(tert-butoxycarbonyl)-N'-phenyltert-butoxycarbohydrazide
• Synonyms: Di-tert-butyl 2-phenylhydrazine-1,1-dicarboxylate; N-Phenylhydrazine, N',N'-Bis-BOC protected

Database IDs

• CAS Number: 312934-59-1
• PubChem SID: 162075368
• PubChem CID: 15499634

CALCULATED PROPERTIES

• Acid pKa: 13.743516
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.4070244
• LogD (pH = 7.4): 4.4070244
• Log P: 4.407025
• Molar Refractivity: 84.5708 cm^3
• Polarizability: 32.565323 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant