≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1=CC=C(C=C1)COC(=O)NC2=C3C(=NC=N2)N(C=N3)CC(=O)O |
|---|---|
| IUPAC Name | 2-[6-(phenylmethoxycarbonylamino)purin-9-yl]acetic acid |
| InChIKey | ZBOVBYTWJJUTEO-UHFFFAOYSA-N |
| INCHI | 1S/C15H13N5O4/c21-11(22)6-20-9-18-12-13(16-8-17-14(12)20)19-15(23)24-7-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,21,22)(H,16,17,19,23) |
| Isomeric SMILES | C1=CC=C(C=C1)COC(=O)NC2=C3C(=NC=N2)N(C=N3)CC(=O)O |
| PubChem CID | 15480514 |
| Molecular Weight | 327.29 |
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 |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Alpha amino acids and derivatives Purines and purine derivatives Pyrimidines and pyrimidine derivatives N-substituted imidazoles Imidolactams Heteroaromatic compounds Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Benzyloxycarbonyl - Imidazopyrimidine - Purine - N-substituted imidazole - Imidolactam - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Carbamic acid ester - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. |
| External Descriptors | Not available |
| Molecular Weight | 327.290 g/mol |
|---|---|
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 327.097 Da |
| Monoisotopic Mass | 327.097 Da |
| Topological Polar Surface Area | 119.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 457.000 |
| 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 |
![9H-Purine-9-acetic acid, 6-[[(phenylmethoxy)carbonyl]amino]- - ≥97% , CAS No.149376-67-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)