≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged Ships Wet ice 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.
| Pubchem Sid | 504772496 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772496 |
| Canonical Smiles | COC(=O)NC(=NCl)NC(=O)OC |
| IUPAC Name | methyl N-(N'-chloro-N-methoxycarbonylcarbamimidoyl)carbamate |
| InChIKey | PCUVYBUDIWDLNI-UHFFFAOYSA-N |
| INCHI | 1S/C5H8ClN3O4/c1-12-4(10)7-3(9-6)8-5(11)13-2/h1-2H3,(H2,7,8,9,10,11) |
| Isomeric SMILES | COC(=O)NC(=NCl)NC(=O)OC |
| Molecular Weight | 209.59 |
| Reaxy-Rn | 26921997 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26921997&ln= |
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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Carbamic acids and derivatives - Carbamate esters |
| Direct Parent | Methylcarbamates |
| Alternative Parents | Guanidines Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Methylcarbamate - Guanidine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as methylcarbamates. These are methyl esters of carbamic acid. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2303469 | Certificate of Analysis | Sep 12, 2023 | C587468 |
| K2303470 | Certificate of Analysis | Sep 12, 2023 | C587468 |
| K2303471 | Certificate of Analysis | Sep 12, 2023 | C587468 |
| K2303472 | Certificate of Analysis | Sep 12, 2023 | C587468 |
| K2303485 | Certificate of Analysis | Sep 12, 2023 | C587468 |
| K2303490 | Certificate of Analysis | Sep 12, 2023 | C587468 |
| Molecular Weight | 209.590 g/mol |
|---|---|
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 209.02 Da |
| Monoisotopic Mass | 209.02 Da |
| Topological Polar Surface Area | 89.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 210.000 |
| 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 |
