N'-phenyl-N-(propan-2-yl)(tert-butoxy)carbohydrazide

• ChemBase ID: 88419
• Molecular Formular: C14H22N2O2
• Molecular Mass: 250.33668
• Monoisotopic Mass: 250.16812795
• SMILES: N(c1ccccc1)N(C(=O)OC(C)(C)C)C(C)C
• Canonical SMILES: CC(N(C(=O)OC(C)(C)C)Nc1ccccc1)C
• InChI: InChI=1S/C14H22N2O2/c1-11(2)16(13(17)18-14(3,4)5)15-12-9-7-6-8-10-12/h6-11,15H,1-5H3
• InChIKey: VDAJIHNXBJETLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-phenyl-N-(propan-2-yl)(tert-butoxy)carbohydrazide
• IUPAC Traditional name: N-isopropyl-N'-phenyltert-butoxycarbohydrazide
• Synonyms: tert-Butyl 1-(1-methylethyl)-2-phenylhydrazine-1-carboxylate; N-Isopropyl-N'-phenylhydrazine, N-BOC protected

Database IDs

• CAS Number: 934391-36-3
• PubChem SID: 162075377
• PubChem CID: 44119438

CALCULATED PROPERTIES

• Acid pKa: 16.752941
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7422247
• LogD (pH = 7.4): 3.7422247
• Log P: 3.7422247
• Molar Refractivity: 73.6398 cm^3
• Polarizability: 28.095238 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant