2-(tert-butylamino)acetamide

• ChemBase ID: 236506
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(CNC(C)(C)C)N
• Canonical SMILES: NC(=O)CNC(C)(C)C
• InChI: InChI=1S/C6H14N2O/c1-6(2,3)8-4-5(7)9/h8H,4H2,1-3H3,(H2,7,9)
• InChIKey: KFWVHGPZNYEBQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tert-butylamino)acetamide
• IUPAC Traditional name: 2-(tert-butylamino)acetamide
• Synonyms: 2-(tert-butylamino)acetamide

Database IDs

• MDL Number: MFCD00462785
• PubChem SID: 164292416
• PubChem CID: 15839440

CALCULATED PROPERTIES

• Acid pKa: 16.745228
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5434752
• LogD (pH = 7.4): -2.1378295
• Log P: -0.46787813
• Molar Refractivity: 36.4058 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51°C
• Hydrophobicity(logP): -0.293

Product Information

• Purity: 95%