≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488191431 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191431 |
| Canonical Smiles | CC(C1=CC=CC=C1)N2C=NC=C2C(=O)O |
| IUPAC Name | 3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid |
| InChIKey | RGYCCBLTSWHXIS-SECBINFHSA-N |
| INCHI | 1S/C12H12N2O2/c1-9(10-5-3-2-4-6-10)14-8-13-7-11(14)12(15)16/h2-9H,1H3,(H,15,16)/t9-/m1/s1 |
| Isomeric SMILES | C[C@H](C1=CC=CC=C1)N2C=NC=C2C(=O)O |
| Molecular Weight | 216.24 |
| Reaxy-Rn | 650707 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=650707&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Carbonylimidazoles |
| Alternative Parents | N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Imidazole-4-carbonyl group - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as carbonylimidazoles. These are substituted imidazoles in which the imidazole ring bears a carbonyl group. |
| External Descriptors | imidazolyl carboxylic acid |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2323497 | Certificate of Analysis | Mar 11, 2026 | E357563 |
| E2323785 | Certificate of Analysis | Mar 11, 2026 | E357563 |
| E2323790 | Certificate of Analysis | Mar 11, 2026 | E357563 |
| E2323791 | Certificate of Analysis | Mar 11, 2026 | E357563 |
| D2425035 | Certificate of Analysis | May 11, 2023 | E357563 |
| E2323784 | Certificate of Analysis | May 11, 2023 | E357563 |
| E2323789 | Certificate of Analysis | May 11, 2023 | E357563 |
| F2512040 | Certificate of Analysis | May 11, 2023 | E357563 |
| I2426415 | Certificate of Analysis | May 11, 2023 | E357563 |
| Sensitivity | light sensitive；Moisture sensitive. |
|---|---|
| Melt Point(°C) | 158-161°C |
| Molecular Weight | 216.240 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 216.09 Da |
| Monoisotopic Mass | 216.09 Da |
| Topological Polar Surface Area | 55.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 251.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Zhang Xiaolong, Chen Yuxuan, Liu Jinlei, Wang Mengchao, Dai Yinyin, Zhao Kundi, Gu Jie, Zhang Huimin, Wurita Amin, Hasegawa Koutaro. (2024) Identification of a novel imidazole-derived GABA agonist isopropoxate: simultaneous detection and quantification of imidazole-derived analogs from human hairs in abused cases by LC–MS/MS. Forensic Toxicology, [PMID:39668300] [10.1007/s11419-024-00707-y] |
| 2. Xiaolong Zhang, Kundi Zhao, Yuxuan Chen, Jinlei Liu, Jie Gu, Mengchao Wang, Yinyin Dai, Huimin Zhang, Amin Wurita, Koutaro Hasegawa. (2025) Simultaneous detection and quantification of a novel imidazole-derived GABA agonist isopropoxate and etomidate acid from human urines in abused cases by LC-MS/MS. Toxicologie Analytique et Clinique, [PMID:] [10.1016/j.toxac.2024.12.003] |
