Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
| カノニカル・スマイル | CCCCNC1=NC(=C2C(=N1)N(C(=O)N2)CC3=CC=C(C=C3)C(=O)NCC(=O)O)N |
|---|---|
| IUPAC Name | 2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetic acid |
| InChIKey | BXJWQQWEBUICHY-UHFFFAOYSA-N |
| INCHI | 1S/C19H23N7O4/c1-2-3-8-21-18-24-15(20)14-16(25-18)26(19(30)23-14)10-11-4-6-12(7-5-11)17(29)22-9-13(27)28/h4-7H,2-3,8-10H2,1H3,(H,22,29)(H,23,30)(H,27,28)(H3,20,21,24,25) |
| 異性体SMILES | CCCCNC1=NC(=C2C(=N1)N(C(=O)N2)CC3=CC=C(C=C3)C(=O)NCC(=O)O)N |
| PubChem CID | 90362358 |
| 分子量 | 413.43 |
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 | Benzenoids |
| 分類 | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Benzamides - Hippuric acids and derivatives |
| Direct Parent | Hippuric acids |
| Alternative Parents | N-acyl-alpha amino acids 6-aminopurines Purinones Benzoyl derivatives Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Heteroaromatic compounds Ureas Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Primary amines Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 6-aminopurine - Alpha-amino acid or derivatives - Purinone - Imidazopyrimidine - Purine - Benzoyl - Aminopyrimidine - N-substituted imidazole - Imidolactam - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Secondary carboxylic acid amide - Urea - Amino acid or derivatives - Amino acid - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Amine - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine. |
| External Descriptors | Not available |
| 溶解度 | DMSO : 25 mg/mL (60.47 mM; Need ultrasonic) H2O : <0.1 mg/mL (ultrasonic;warming;heat to 60°C) (insoluble) |
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