N-tert-butyl-2-(methylamino)acetamide

• ChemBase ID: 35433
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: C(=O)(NC(C)(C)C)CNC
• Canonical SMILES: CNCC(=O)NC(C)(C)C
• InChI: InChI=1S/C7H16N2O/c1-7(2,3)9-6(10)5-8-4/h8H,5H2,1-4H3,(H,9,10)
• InChIKey: PKKPXMPHLXGWQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-tert-butyl-2-(methylamino)acetamide
• IUPAC Traditional name: N-tert-butyl-2-(methylamino)acetamide
• Synonyms: N-(tert-Butyl)-2-(methylamino)acetamide

Database IDs

• MDL Number: MFCD06655930
• PubChem SID: 160998740
• PubChem CID: 4962512

CALCULATED PROPERTIES

• Acid pKa: 16.020956
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.215018
• LogD (pH = 7.4): -1.6581804
• Log P: -0.24420206
• Molar Refractivity: 41.3025 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 16 - 18°C
• Hydrophobicity(logP): -0.027

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%