5-(hydroxymethyl)-N,N-dimethylfuran-2-carboxamide

• ChemBase ID: 308730
• Molecular Formular: C8H11NO3
• Molecular Mass: 169.17784
• Monoisotopic Mass: 169.07389322
• SMILES: c1(C(=O)N(C)C)oc(cc1)CO
• Canonical SMILES: OCc1ccc(o1)C(=O)N(C)C
• InChI: InChI=1S/C8H11NO3/c1-9(2)8(11)7-4-3-6(5-10)12-7/h3-4,10H,5H2,1-2H3
• InChIKey: STHHXHFVSLGYAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(hydroxymethyl)-N,N-dimethylfuran-2-carboxamide
• IUPAC Traditional name: 5-(hydroxymethyl)-N,N-dimethylfuran-2-carboxamide
• Synonyms: 5-(hydroxymethyl)-N,N-dimethyl-2-furamide

Database IDs

• CAS Number: 1211764-32-7
• MDL Number: MFCD13188559

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5158638
• LogD (pH = 7.4): -0.515864
• Log P: -0.5158638
• Molar Refractivity: 44.0141 cm^3
• Polarizability: 16.247122 Å^3
• Polar Surface Area: 53.68 Å^2