for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)(C)OC(=O)N1CCN2C=C(N=C2C1)C(=O)O |
|---|---|
| IUPAC Name | 7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid |
| InChIKey | YUBMPMRXTOOBIU-UHFFFAOYSA-N |
| INCHI | 1S/C12H17N3O4/c1-12(2,3)19-11(18)15-5-4-14-6-8(10(16)17)13-9(14)7-15/h6H,4-5,7H2,1-3H3,(H,16,17) |
| Isomeric SMILES | CC(C)(C)OC(=O)N1CCN2C=C(N=C2C1)C(=O)O |
| Molecular Weight | 267.285 |
| Reaxy-Rn | 20617795 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20617795&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Vinylogous amides Heteroaromatic compounds Carbamate esters Tertiary amines Amino acids Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Imidazole-4-carbonyl group - N-substituted imidazole - Heteroaromatic compound - Carbamic acid ester - Vinylogous amide - Amino acid or derivatives - Amino acid - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Amine - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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 | Not available |
| Molecular Weight | 267.280 g/mol |
|---|---|
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 267.122 Da |
| Monoisotopic Mass | 267.122 Da |
| Topological Polar Surface Area | 84.700 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 380.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
![7-Boc-5,6-dihydro-8H-imidazo[1,2-a]pyrazine-2-carboxylic acid - CAS No(885281-30-1) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/B/3/B335997.png)