2-amino-N,N,2-trimethylpropanamide

• ChemBase ID: 272253
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(C(N)(C)C)N(C)C
• Canonical SMILES: CN(C(=O)C(N)(C)C)C
• InChI: InChI=1S/C6H14N2O/c1-6(2,7)5(9)8(3)4/h7H2,1-4H3
• InChIKey: MWGOOIPMWLYOOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N,2-trimethylpropanamide
• IUPAC Traditional name: 2-amino-N,N,2-trimethylpropanamide
• Synonyms: 2-amino-N,N,2-trimethylpropanamide; N~1~,N~1~,2-trimethylalaninamide

Database IDs

• CAS Number: 62983-26-0
• MDL Number: MFCD14608608
• PubChem SID: 164328163
• PubChem CID: 12333548

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.286367
• LogD (pH = 7.4): -1.7592304
• Log P: -0.5055359
• Molar Refractivity: 36.8262 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.557

Product Information

• Purity: 95%