≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1CC(CN(C1)CC2=C(N=C3N2C=CC=N3)C4=CC5=C(C=C4)OCO5)C(=O)O |
|---|---|
| IUPAC Name | 1-[[2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperidine-3-carboxylic acid |
| InChIKey | LOIBWHFIFZCKDA-UHFFFAOYSA-N |
| INCHI | 1S/C20H20N4O4/c25-19(26)14-3-1-7-23(10-14)11-15-18(22-20-21-6-2-8-24(15)20)13-4-5-16-17(9-13)28-12-27-16/h2,4-6,8-9,14H,1,3,7,10-12H2,(H,25,26) |
| Molecular Weight | 380.400 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzodioxoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodioxoles |
| Alternative Parents | Imidazo[1,2-a]pyrimidines Piperidinecarboxylic acids Aralkylamines Benzenoids Pyrimidines and pyrimidine derivatives N-substituted imidazoles Heteroaromatic compounds Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Acetals Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodioxole - Imidazo[1,2-a]pyrimidine - Piperidinecarboxylic acid - Aralkylamine - N-substituted imidazole - Piperidine - Benzenoid - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Acetal - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic oxide - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 380.400 g/mol |
|---|---|
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 380.148 Da |
| Monoisotopic Mass | 380.148 Da |
| Topological Polar Surface Area | 89.200 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 578.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![1-{[2-(2H-1,3-Benzodioxol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]methyl}piperidine-3-carboxylic acid - ≥95% CAS No(904816-50-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/H/9/H974831.jpg)