2-amino-N,N-dimethylpropanamide

• ChemBase ID: 257984
• Molecular Formular: C5H12N2O
• Molecular Mass: 116.16158
• Monoisotopic Mass: 116.09496301
• SMILES: C(=O)(N(C)C)C(N)C
• Canonical SMILES: O=C(N(C)C)C(N)C
• InChI: InChI=1S/C5H12N2O/c1-4(6)5(8)7(2)3/h4H,6H2,1-3H3
• InChIKey: WSFGOLVWRKEQOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N-dimethylpropanamide
• IUPAC Traditional name: 2-amino-N,N-dimethylpropanamide
• Synonyms: 2-amino-N,N-dimethylpropanamide; N~1~,N~1~-dimethylalaninamide

Database IDs

• CAS Number: 124491-96-9
• MDL Number: MFCD09936145
• PubChem SID: 164313894
• PubChem CID: 12653781

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.588814
• LogD (pH = 7.4): -1.9594479
• Log P: -0.9383018
• Molar Refractivity: 32.1129 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.866

Product Information

• Purity: 95%