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

• ChemBase ID: 42767
• Molecular Formular: C13H18N2O4
• Molecular Mass: 266.29302
• Monoisotopic Mass: 266.12665707
• SMILES: C(=O)(NNC(=O)OCc1ccccc1)OC(C)(C)C
• Canonical SMILES: O=C(NNC(=O)OC(C)(C)C)OCc1ccccc1
• InChI: InChI=1S/C13H18N2O4/c1-13(2,3)19-12(17)15-14-11(16)18-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,14,16)(H,15,17)
• InChIKey: SBXLAJWMWLOZET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-[(tert-butoxy)carbonyl](benzyloxy)carbohydrazide
• IUPAC Traditional name: N'-(tert-butoxycarbonyl)benzyloxycarbohydrazide
• Synonyms: 1-Benzyl 2-(tert-butyl) hydrazine-1,2-dicarboxylate; 1-Benzyl 2-(tert-butyl) 1,2-hydrazinedicarboxylate; 1-Benzyl 2-(tert-butyl) hydrazine-1,2-dicarboxylate; Hydrazine, N-BOC, N'-CBZ protected

Database IDs

• CAS Number: 57699-88-4
• MDL Number: MFCD09752862
• PubChem SID: 162047530
• PubChem CID: 11288582

CALCULATED PROPERTIES

• Acid pKa: 10.93866
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.397276
• LogD (pH = 7.4): 2.3971667
• Log P: 2.3972774
• Molar Refractivity: 68.9972 cm^3
• Polarizability: 27.060404 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79 - 80 °C; 79-80°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%