ethyl 3-aminofuran-2-carboxylate

• ChemBase ID: 292665
• Molecular Formular: C7H9NO3
• Molecular Mass: 155.15126
• Monoisotopic Mass: 155.05824315
• SMILES: CCOC(=O)c1c(N)cco1
• Canonical SMILES: CCOC(=O)c1occc1N
• InChI: InChI=1S/C7H9NO3/c1-2-10-7(9)6-5(8)3-4-11-6/h3-4H,2,8H2,1H3
• InChIKey: HXELJVYXYWJKFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 3-aminofuran-2-carboxylate
• IUPAC Traditional name: ethyl 3-aminofuran-2-carboxylate
• Synonyms: Ethyl 3-aminofuran-2-carboxylate

Database IDs

• CAS Number: 1196152-35-8
• PubChem SID: 180678196
• PubChem CID: 55266738

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2148514
• LogD (pH = 7.4): 1.2148514
• Log P: 1.2148514
• Molar Refractivity: 39.9232 cm^3
• Polarizability: 14.676279 Å^3
• Polar Surface Area: 65.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%