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CAS Number: 25786-72-5
ethyl 5-amino-3-methylisoxazole-4-carboxylate

Structure

ethyl 5-amino-3-methylisoxazole-4-carboxylate
Name: ethyl 5-amino-3-methylisoxazole-4-carboxylate
Synonyms:
General Information
Product Number: 25786725
CAS Registry Number: 25786-72-5
Name:
4-​Isoxazolecarboxylic acid, 5-​amino-​3-​methyl-​, ethyl ester
5-​Amino-​3-​methyl-​4-​isoxazolecarboxylic acid ethyl ester; Ethyl 5-​amino-​3-​methylisoxazole-​4-​carboxylate 
 
Chemical Formula: C7H10N2O3
Exact Mass: 170.07
Molecular Weight: 170.17
m/z: 170.07 (100.0%), 171.07 (8.4%)
Elemental Analysis: C, 49.41; H, 5.92; N, 16.46; O, 28.21
 
InChI: InChI=1S/C7H10N2O3/c1-3-11-7(10)5-4(2)9-12-6(5)8/h3,8H2,1-2H3
InChIKey: ULIKRPZEQZFBPS-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(ON=C1C)N
 
Thermal Properties Value Condition Note
Melting Point 133-135 °C   (3)CAS
Melting Point 133-135 °C   (4)CAS

Specification

98%

References
  1. (1) Sony, S. M. Malathy; Acta Crystallographica, Section E: Structure Reports Online 2005, V61(1), Po198-o200 CAPLUS
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Kloetzer, W.; Monatshefte fuer Chemie 1963, V95(1), P265-76 CAPLUS
  4. (4) Bamoharram, Fatemeh F.; Chinese Journal of Chemistry 2010, V28(6), P974-976 CAPLUS
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