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CAS Number: 31891-06-2
ethyl 2-aminothiophene-3-carboxylate

Structure

 ethyl 2-aminothiophene-3-carboxylate
Name: ethyl 2-aminothiophene-3-carboxylate
Synonyms:
General Information
Product Number: 31891062
CAS Registry Number: 31891-06-2
Name:
        3-​Thiophenecarboxylic acid, 2-​amino-​, ethyl ester
        2-​Amino-​3-​carboethoxythiophene; 2-​Amino-​3-​ethoxycarbonylthioph​ene; 2-​Aminothiophene-​3-​carboxylic acid ethyl ester; Ethyl 2-​amino-​3-​thiophenecarboxylate 
 
Chemical Formula: C7H9NO2S
Exact Mass: 171.04
Molecular Weight: 171.22
m/z: 171.04 (100.0%), 172.04 (7.8%), 173.03 (4.5%), 172.03 (1.2%)
Elemental Analysis: C, 49.10; H, 5.30; N, 8.18; O, 18.69; S, 18.73
 
InChI: InChI=1S/C7H9NO2S/c1-2-10-7(9)5-3-4-11-6(5)8/h3-4H,2,8H2,1H3
InChIKey: MKJQYFVTEPGXIE-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(SC=C1)N
 
Thermal Properties Value Condition Note
Melting Point 47-48 °C Solv: ethyl acetate (141-78-6); hexane (110-54-3) (6)CAS

Specification

98%
References
  1. (1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  2. (2) ACD: Spectral data were obtained from Advanced Chemistry Development, Inc.
  3. (3) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  4. (4) Bruix, Marta; Magnetic Resonance in Chemistry 1985, V23(5), P367-74 CAPLUS
  5. (5) Bourgeaux, Marie; Acta Crystallographica, Section E: Structure Reports Online 2007, V63(4), Po1603-o1605 CAPLUS
  6. (6) Guetschow, Michael; Journal of Medicinal Chemistry 1999, V42(26), P5437-5447 CAPLUS
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