2-amino-2,3-dimethylbutanamide

• ChemBase ID: 67086
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(C(C(C)C)(C)N)N
• Canonical SMILES: CC(C(C(=O)N)(N)C)C
• InChI: InChI=1S/C6H14N2O/c1-4(2)6(3,8)5(7)9/h4H,8H2,1-3H3,(H2,7,9)
• InChIKey: YCPQUHCGFDFLSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2,3-dimethylbutanamide
• IUPAC Traditional name: 2-amino-2,3-dimethylbutanamide
• Synonyms: 2-Amino-2,3-dimethylbutyramide; 2-AMino-2,3-diMethylbutanaMide

Database IDs

• CAS Number: 40963-14-2
• MDL Number: MFCD02682920
• PubChem SID: 162032822
• PubChem CID: 9793773

CALCULATED PROPERTIES

• Acid pKa: 16.635414
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9019854
• LogD (pH = 7.4): -1.448789
• Log P: -0.06539282
• Molar Refractivity: 36.0284 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%