N-(2-hydroxyethyl)-N-methylacetamide

• ChemBase ID: 58306
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: C(=O)(N(CCO)C)C
• Canonical SMILES: CN(C(=O)C)CCO
• InChI: InChI=1S/C5H11NO2/c1-5(8)6(2)3-4-7/h7H,3-4H2,1-2H3
• InChIKey: OBSKGKGKPGOOTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyethyl)-N-methylacetamide
• IUPAC Traditional name: N-(2-hydroxyethyl)-N-methylacetamide
• Synonyms: N-(2-Hydroxyethyl)-N-methylacetamide

Database IDs

• CAS Number: 15567-95-0
• MDL Number: MFCD10048086
• PubChem SID: 162063069
• PubChem CID: 10510843

CALCULATED PROPERTIES

• Acid pKa: 15.574865
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2730383
• LogD (pH = 7.4): -1.2730383
• Log P: -1.2730383
• Molar Refractivity: 30.5516 cm^3
• Polarizability: 11.806096 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false