≥98%(HPLC) 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.
Product Describtion:
M1 muscarinic antagonist
| Pubchem Sid | 504769962 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769962 |
| Canonical Smiles | CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=C(C=C2)[N+](=O)[O-].Cl |
| IUPAC Name | 2-(diethylamino)ethyl 1-(4-nitrophenyl)cyclopentane-1-carboxylate;hydrochloride |
| InChIKey | XWQWACGTGFICFO-UHFFFAOYSA-N |
| INCHI | 1S/C18H26N2O4.ClH/c1-3-19(4-2)13-14-24-17(21)18(11-5-6-12-18)15-7-9-16(10-8-15)20(22)23;/h7-10H,3-6,11-14H2,1-2H3;1H |
| Isomeric SMILES | CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=C(C=C2)[N+](=O)[O-].Cl |
| Molecular Weight | 370.88 |
| Reaxy-Rn | 4833797 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4833797&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitroaromatic compounds Trialkylamines Carboxylic acid esters Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrochloride - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G2213155 | Certificate of Analysis | Apr 03, 2025 | N287162 |
| G2213157 | Certificate of Analysis | Apr 03, 2025 | N287162 |
| G2213158 | Certificate of Analysis | Apr 03, 2025 | N287162 |
| G2213160 | Certificate of Analysis | Apr 03, 2025 | N287162 |
| G2213217 | Certificate of Analysis | Apr 03, 2025 | N287162 |
| Solubility | Solvent:water, Max Conc. mg/mL: None, Max Conc. mM: 10 |
|---|---|
| Molecular Weight | 370.900 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 370.166 Da |
| Monoisotopic Mass | 370.166 Da |
| Topological Polar Surface Area | 75.400 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 417.000 |
| 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 | 2 |
