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

• ChemBase ID: 88415
• Molecular Formular: C12H18N2O2
• Molecular Mass: 222.28352
• Monoisotopic Mass: 222.13682783
• SMILES: N(C)(C(=O)OC(C)(C)C)Nc1ccccc1
• Canonical SMILES: CN(C(=O)OC(C)(C)C)Nc1ccccc1
• InChI: InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14(4)13-10-8-6-5-7-9-10/h5-9,13H,1-4H3
• InChIKey: VPBMXPVNDGEZHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 934391-34-1
• PubChem SID: 162075373
• PubChem CID: 44119434

CALCULATED PROPERTIES

• Acid pKa: 16.866089
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9688416
• LogD (pH = 7.4): 2.9688416
• Log P: 2.9688416
• Molar Refractivity: 64.4724 cm^3
• Polarizability: 24.413456 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant