N-tert-butylacetamide

• ChemBase ID: 302092
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: CC(=O)NC(C)(C)C
• Canonical SMILES: CC(=O)NC(C)(C)C
• InChI: InChI=1S/C6H13NO/c1-5(8)7-6(2,3)4/h1-4H3,(H,7,8)
• InChIKey: ACYFWRHALJTSCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-tert-butylacetamide
• IUPAC Traditional name: N-tert-butylacetamide
• Synonyms: N-tert-Butylacetamide; N-叔丁基乙酰胺

Database IDs

• CAS Number: 762-84-5
• MDL Number: MFCD00038244
• Beilstein Number: 1699507

CALCULATED PROPERTIES

• Acid pKa: 16.367243
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.24734734
• LogD (pH = 7.4): 0.24734738
• Log P: 0.24734738
• Molar Refractivity: 33.1682 cm^3
• Polarizability: 12.988816 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95-99°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%