N-methyl-2-(methylamino)acetamide

• ChemBase ID: 120123
• Molecular Formular: C4H10N2O
• Molecular Mass: 102.135
• Monoisotopic Mass: 102.07931295
• SMILES: C(=O)(NC)CNC
• Canonical SMILES: CNCC(=O)NC
• InChI: InChI=1S/C4H10N2O/c1-5-3-4(7)6-2/h5H,3H2,1-2H3,(H,6,7)
• InChIKey: NODGJSNKUCVLNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(methylamino)acetamide
• IUPAC Traditional name: N-methyl-2-(methylamino)acetamide
• Synonyms: N-methyl-2-(methylamino)acetamide; N1,N2-Dimethylglycinamide; N~1~,N~2~-dimethylglycinamide

Database IDs

• CAS Number: 44565-47-1
• MDL Number: MFCD06375938
• PubChem SID: 162214476
• PubChem CID: 2463138

CALCULATED PROPERTIES

• Acid pKa: 16.172451
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.269551
• LogD (pH = 7.4): -2.713311
• Log P: -1.2981617
• Molar Refractivity: 27.4969 cm^3
• Polarizability: 10.84336 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C4H10N2O

DETAILS

Sigma Aldrich - CBR00235

Other Notes
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