N-ethyl-N'-phenyl(tert-butoxy)carbohydrazide

• ChemBase ID: 88414
• Molecular Formular: C13H20N2O2
• Molecular Mass: 236.3101
• Monoisotopic Mass: 236.15247789
• SMILES: N(CC)(C(=O)OC(C)(C)C)Nc1ccccc1
• Canonical SMILES: CCN(C(=O)OC(C)(C)C)Nc1ccccc1
• InChI: InChI=1S/C13H20N2O2/c1-5-15(12(16)17-13(2,3)4)14-11-9-7-6-8-10-11/h6-10,14H,5H2,1-4H3
• InChIKey: BTGDCNYEZKMUPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N'-phenyl(tert-butoxy)carbohydrazide
• IUPAC Traditional name: N-ethyl-N'-phenyltert-butoxycarbohydrazide
• Synonyms: tert-Butyl 1-ethyl-2-phenylhydrazine-1-carboxylate; N-Ethyl-N'-phenylhydrazine, N-BOC protected

Database IDs

• CAS Number: 934391-35-2
• PubChem SID: 162075372
• PubChem CID: 44119433

CALCULATED PROPERTIES

• Acid pKa: 16.809383
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3256495
• LogD (pH = 7.4): 3.3256495
• Log P: 3.3256495
• Molar Refractivity: 69.221 cm^3
• Polarizability: 26.253963 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant