Ethyl 2-Amino-5,6,7,8-Tetrahydro-4H-Cyclohepta[b]Thiophene-3-Carboxylate
[CAS# 40106-13-6]

Identification

• Name: Ethyl 2-Amino-5,6,7,8-Tetrahydro-4H-Cyclohepta[b]Thiophene-3-Carboxylate
• Synonyms: 2-Amino-5,6,7,8-Tetrahydro-4H-Cyclohepta[D]Thiophene-3-Carboxylic Acid Ethyl Ester; Aa017; Ethyl 2-Aminocyclohepta[B]Thiophene-3-Carboxylate
• Molecular Formula: C₁₂H₁₇NO₂S
• Molecular Weight: 239.33
• CAS Registry Number: 40106-13-6
• SMILES: C(OC(C1=C(N)SC2=C1CCCCC2)=O)C
• InChI: 1S/C12H17NO2S/c1-2-15-12(14)10-8-6-4-3-5-7-9(8)16-11(10)13/h2-7,13H2,1H3
• InChIKey: XTUHIGALMIGZST-UHFFFAOYSA-N

Properties

• Density: 1.196g/cm³ (Cal.)
• Boiling point: 419.449°C at 760 mmHg (Cal.)
• Flash point: 207.475°C (Cal.)

References

• (1): K. A. Nirmala, Vasu, D. Chopra, S. Mohan and M. R. Prasad. Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, Acta Cryst. (2005). E61, o1541-o1543