≥90% 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 | CC1(CN(C1=O)C2=CC=CC(=C2)C3=CC=NC4=NC=NN34)C |
|---|---|
| IUPAC Name | 3,3-dimethyl-1-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]azetidin-2-one |
| InChIKey | XEEBPCARQQCJMX-UHFFFAOYSA-N |
| INCHI | 1S/C16H15N5O/c1-16(2)9-20(14(16)22)12-5-3-4-11(8-12)13-6-7-17-15-18-10-19-21(13)15/h3-8,10H,9H2,1-2H3 |
| Isomeric SMILES | CC1(CN(C1=O)C2=CC=CC(=C2)C3=CC=NC4=NC=NN34)C |
| PubChem CID | 3714506 |
| Molecular Weight | 293.33 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Lactams |
| Subclass | Beta lactams |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Monobactams |
| Alternative Parents | Phenylpyrimidines Phenylazetidines Triazolopyrimidines Benzene and substituted derivatives Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Monobactam - 4-phenylpyrimidine - 1-phenylazetidine - Triazolopyrimidine - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - 1,2,4-triazole - Triazole - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as monobactams. These are compounds comprising beta-lactam ring is alone and not fused to another ring. |
| External Descriptors | Not available |
| Molecular Weight | 293.320 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 293.128 Da |
| Monoisotopic Mass | 293.128 Da |
| Topological Polar Surface Area | 63.400 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 454.000 |
| 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 |
![3,3-Dimethyl-1-(3-[1,2,4]triazolo[1,5-a]pyrimidin-7-ylphenyl)-2-azetidinone - ≥90% , CAS No.439112-24-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)