N'-tert-butyl-N'-phenylacetohydrazide

• ChemBase ID: 88417
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: N(N(c1ccccc1)C(C)(C)C)C(=O)C
• Canonical SMILES: CC(=O)NN(C(C)(C)C)c1ccccc1
• InChI: InChI=1S/C12H18N2O/c1-10(15)13-14(12(2,3)4)11-8-6-5-7-9-11/h5-9H,1-4H3,(H,13,15)
• InChIKey: HDUCLRWIXMYNKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-tert-butyl-N'-phenylacetohydrazide
• IUPAC Traditional name: N'-tert-butyl-N'-phenylacetohydrazide
• Synonyms: N'-tert-Butyl-N'-phenylacetohydrazide

Database IDs

• CAS Number: 885669-12-5
• PubChem SID: 162075375
• PubChem CID: 44119436

CALCULATED PROPERTIES

• Acid pKa: 13.869767
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1726913
• LogD (pH = 7.4): 2.172789
• Log P: 2.1727905
• Molar Refractivity: 71.7574 cm^3
• Polarizability: 23.722313 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant