5-(aminomethyl)-N-methylfuran-2-carboxamide

• ChemBase ID: 308591
• Molecular Formular: C7H10N2O2
• Molecular Mass: 154.1665
• Monoisotopic Mass: 154.07422757
• SMILES: c1(oc(cc1)CN)C(=O)NC
• Canonical SMILES: CNC(=O)c1ccc(o1)CN
• InChI: InChI=1S/C7H10N2O2/c1-9-7(10)6-3-2-5(4-8)11-6/h2-3H,4,8H2,1H3,(H,9,10)
• InChIKey: FGDPZSJGKXOHEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(aminomethyl)-N-methylfuran-2-carboxamide
• IUPAC Traditional name: 5-(aminomethyl)-N-methylfuran-2-carboxamide
• Synonyms: 5-(aminomethyl)-N-methyl-2-furamide

Database IDs

• CAS Number: 1210706-38-9
• MDL Number: MFCD12198448

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9758368
• LogD (pH = 7.4): -1.3115461
• Log P: -0.8464216
• Molar Refractivity: 40.7749 cm^3
• Polarizability: 15.2780695 Å^3
• Polar Surface Area: 68.26 Å^2