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CAS Number: 40106-13-6
ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Structure

ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Name: ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Synonyms:
General Information
Product Number: 40106136
CAS Registry Number: 40106-13-6
Name:
4H-​Cyclohepta[b]​thiophene-​3-​carboxylic acid, 2-​amino-​5,​6,​7,​8-​tetrahydro-​, ethyl ester
Ethyl 2-​amino-​5,​6,​7,​8-​tetrahydro-​4H-​cyclohepta[b]​thiophene-​3-​carboxylate; NSC 158551 
 
Chemical Formula: C12H17NO2S
Exact Mass: 239.10
Molecular Weight: 239.33
m/z: 239.10 (100.0%), 240.10 (14.4%), 241.09 (4.5%), 241.10 (1.3%)
Elemental Analysis: C, 60.22; H, 7.16; N, 5.85; O, 13.37; S, 13.40
 
InChI: 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
Canonical SMILES : CCOC(=O)C1=C(SC2=C1CCCCC2)N
 
Thermal Properties Value Condition Note
Melting Point 89 °C   (6)CAS
Melting Point 88-90 °C Solv: ethanol (64-17-5) (5)CAS
Melting Point 88 °C Solv: ethanol (64-17-5) (7)IC
Melting Point 87 °C Solv: ethyl acetate (141-78-6); hexane (110-54-3) (1)CAS
Melting Point 85 °C Solv: ethanol (64-17-5) (8)CAS

Specification

98%

References
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