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CAS Number: 21190-16-9
ethyl 5-amino-1H-imidazole-4-carboxylate

Structure

ethyl 5-amino-1H-imidazole-4-carboxylate
Name: ethyl 5-amino-1H-imidazole-4-carboxylate
Synonyms:
General Information
Product Number: 21190169
CAS Registry Number: 21190-16-9
Name:
1H-​Imidazole-​4-​carboxylic acid, 5-​amino-​, ethyl ester
Imidazole-​4(or 5)​-​carboxylic acid, 5(or 4)​-​amino-​, ethyl ester (7CI); Imidazole-​4-​carboxylic acid, 5-​amino-​, ethyl ester (6CI,​8CI); 4-​Amino-​5-​carbethoxyimidazole; 5-​Amino-​1H-​imidazole-​4-​carboxylic acid ethyl ester; Ethyl 4-​aminoimidazole-​5-​carboxylate; Ethyl 5-​aminoimidazole-​4-​carboxylate; NSC 382775; NSC 98659 
 
Chemical Formula: C6H9N3O2
Exact Mass: 155.07
Molecular Weight: 155.15
m/z: 155.07 (100.0%), 156.07 (7.7%)
Elemental Analysis: C, 46.45; H, 5.85; N, 27.08; O, 20.62
 
InChI: InChI=1S/C6H9N3O2/c1-2-11-6(10)4-5(7)9-3-8-4/h3H,2,7H2,1H3,(H,8,9)
InChIKey: NJMORFFDAXJHHM-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(N=CN1)N
 
Thermal Properties Value Condition Note
Melting Point 181 °C Solv: ethyl acetate (141-78-6) (4)IC
Melting Point 180-181 °C   (5)CAS
Melting Point 168-169 °C Solv: chloroform (67-66-3) (1)CAS

Specification

98%

References
  1. (1) Lagoja, Irene M.; Chemistry & Biodiversity 2005, V2(7), P923-927 CAPLUS
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Xu, Lan; Journal of Biological Chemistry 2007, V282(17), P13033-13046 CAPLUS
  4. (4) Brown, Tom; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1980, (10), P2310-15 CAPLUS
  5. (5) Heilbron, Ian M.; GB 683523 1952 CAPLUS
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