N,N'-dimethyl-N'-phenyl(tert-butoxy)carbohydrazide

• ChemBase ID: 88420
• Molecular Formular: C13H20N2O2
• Molecular Mass: 236.3101
• Monoisotopic Mass: 236.15247789
• SMILES: N(C(=O)OC(C)(C)C)(N(c1ccccc1)C)C
• Canonical SMILES: O=C(N(N(c1ccccc1)C)C)OC(C)(C)C
• InChI: InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15(5)14(4)11-9-7-6-8-10-11/h6-10H,1-5H3
• InChIKey: QQANFOCZEDAQBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 934391-25-0
• PubChem SID: 162075378
• PubChem CID: 44119439

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0157158
• LogD (pH = 7.4): 3.0157573
• Log P: 3.0157578
• Molar Refractivity: 78.2777 cm^3
• Polarizability: 26.253218 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant