ethyl 7-aminofuro[2,3-b]pyrazine-6-carboxylate

• ChemBase ID: 66899
• Molecular Formular: C9H9N3O3
• Molecular Mass: 207.18606
• Monoisotopic Mass: 207.06439116
• SMILES: c12c(nccn1)c(c(o2)C(=O)OCC)N
• Canonical SMILES: CCOC(=O)c1oc2c(c1N)nccn2
• InChI: InChI=1S/C9H9N3O3/c1-2-14-9(13)7-5(10)6-8(15-7)12-4-3-11-6/h3-4H,2,10H2,1H3
• InChIKey: NHSIPJHPEDCYAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 7-aminofuro[2,3-b]pyrazine-6-carboxylate
• IUPAC Traditional name: ethyl 7-aminofuro[2,3-b]pyrazine-6-carboxylate
• Synonyms: Ethyl 7-aminofuro[2,3-b]pyrazine-6-carboxylate; 7-Amino-furo[2,3-b]pyrazine-6-carboxylic acid ethyl ester

Database IDs

• CAS Number: 187732-95-2
• MDL Number: MFCD09909670
• PubChem SID: 162032635
• PubChem CID: 45790050

CALCULATED PROPERTIES

• Acid pKa: 16.063307
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5516968
• LogD (pH = 7.4): 0.55169684
• Log P: 0.55169684
• Molar Refractivity: 51.5177 cm^3
• Polarizability: 19.754276 Å^3
• Polar Surface Area: 91.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%