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

• ChemBase ID: 307682
• Molecular Formular: C8H12N2O2
• Molecular Mass: 168.19308
• Monoisotopic Mass: 168.08987763
• SMILES: c1(C(=O)N(C)C)oc(cc1)CN
• Canonical SMILES: NCc1ccc(o1)C(=O)N(C)C
• InChI: InChI=1S/C8H12N2O2/c1-10(2)8(11)7-4-3-6(5-9)12-7/h3-4H,5,9H2,1-2H3
• InChIKey: HCGWXUAJPZOAGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 893740-88-0
• MDL Number: MFCD06803213

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7510216
• LogD (pH = 7.4): -1.0870109
• Log P: -0.6227456
• Molar Refractivity: 45.6716 cm^3
• Polarizability: 17.107573 Å^3
• Polar Surface Area: 59.47 Å^2