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CAS Number: 645-65-8
2-(1H-imidazol-5-yl)acetic acid

Structure

2-(1H-imidazol-5-yl)acetic acid
Name: 2-(1H-imidazol-5-yl)acetic acid
Synonyms:
General Information
Product Number: 645658
CAS Registry Number: 645-65-8
Name:
1H-​Imidazole-​5-​acetic acid
1H-​Imidazole-​4-​acetic acid (9CI); Imidazole-​4(or 5)​-​acetic acid (6CI); Imidazole-​4-​acetic acid (8CI); (1H-​Imidazol-​4-​yl)​acetic acid; (3H-​Imidazol-​4-​yl)​acetic acid; (Imidazol-​4-​yl)​acetic acid; 2-​(1H-​Imidazol-​4-​yl)​acetic acid; 2-​(1H-​Imidazol-​5-​yl)​acetic acid; 4-​(Carboxymethyl)​-​1H-​imidazole; I-​4-​AA; Imidazol-​4(5)​-​ylacetic acid; Imidazole-​5-​acetic acid; Imidazoleacetic acid; NSC 60104 
Deleted CAS Registry Numbers: 873-​79-​0
 
Chemical Formula: C5H6N2O2
Exact Mass: 126.04
Molecular Weight: 126.11
m/z: 126.04 (100.0%), 127.05 (5.6%)
Elemental Analysis: C, 47.62; H, 4.80; N, 22.21; O, 25.37
 
InChI: InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
InChIKey: PRJKNHOMHKJCEJ-UHFFFAOYSA-N
Canonical SMILES : C1=C(NC=N1)CC(=O)O
 
Thermal Properties Value Condition Note
Melting Point 217-219 °C (decomp)   (3)CAS

Specification

98%

References
  1. (1) Sari, Hayati; Journal of Chemical and Engineering Data 2005, V50(4), P1425-1429 CAPLUS
  2. (2) Kato, Masaru; Journal of Chromatography A 2009, V1216(47), P8277-8282 CAPLUS
  3. (3) Mehler, Alan H.; Journal of Biological Chemistry 1952, V197, P475-80 CAPLUS
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