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

• ChemBase ID: 88416
• Molecular Formular: C12H18N2O2
• Molecular Mass: 222.28352
• Monoisotopic Mass: 222.13682783
• SMILES: N(C(=O)OC(C)(C)C)N(c1ccccc1)C
• Canonical SMILES: CN(c1ccccc1)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)13-14(4)10-8-6-5-7-9-10/h5-9H,1-4H3,(H,13,15)
• InChIKey: MAVCVTWTNOQESH-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 2-methyl-2-phenylhydrazine-1-carboxylate; N-Methyl-N-phenylhydrazine, N'-BOC protected

Database IDs

• CAS Number: 934391-29-4
• PubChem SID: 162075374
• PubChem CID: 44119435

CALCULATED PROPERTIES

• Acid pKa: 14.053032
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7920709
• LogD (pH = 7.4): 2.7920814
• Log P: 2.7920816
• Molar Refractivity: 73.381 cm^3
• Polarizability: 24.41287 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant