N-(2-hydroxyethyl)-2-methylprop-2-enamide

• ChemBase ID: 78038
• Molecular Formular: C6H11NO2
• Molecular Mass: 129.15704
• Monoisotopic Mass: 129.0789786
• SMILES: N(C(=O)C(=C)C)CCO
• Canonical SMILES: CC(=C)C(=O)NCCO
• InChI: InChI=1S/C6H11NO2/c1-5(2)6(9)7-3-4-8/h8H,1,3-4H2,2H3,(H,7,9)
• InChIKey: BSCJIBOZTKGXQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyethyl)-2-methylprop-2-enamide
• IUPAC Traditional name: N-(2-hydroxyethyl)-2-methylprop-2-enamide
• Synonyms: N-(2-Hydroxyethyl)methacrylamide; HEMAm; N-(2-Hydroxyethyl)-2-methylprop-2-enamide 97+%

Database IDs

• CAS Number: 5238-56-2
• PubChem SID: 162042872
• PubChem CID: 10197699

CALCULATED PROPERTIES

• Acid pKa: 15.410703
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.34493136
• LogD (pH = 7.4): -0.34487155
• Log P: -0.34487078
• Molar Refractivity: 34.6597 cm^3
• Polarizability: 13.387065 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant