Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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.
M4 muscarinic acetylcholine receptor antagonist.
| ALogP | 1.5 |
|---|
| Pubchem Sid | 504750917 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750917 |
| Canonical Smiles | CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2 |
| IUPAC Name | N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide |
| InChIKey | BGDKAVGWHJFAGW-UHFFFAOYSA-N |
| INCHI | 1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15/h3-11,16,20H,2,12-13H2,1H3 |
| Isomeric SMILES | CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2 |
| WGK Germany | 3 |
| RTECS | CY1487860 |
| PubChem CID | 5593 |
| Molecular Weight | 284.35 |
| Beilstein | 10262 |
| Reaxy-Rn | 285563 |
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 | Phenylacetamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylacetamides |
| Alternative Parents | Pyridines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylacetamide - Pyridine - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids. |
| 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 |
|---|---|---|---|
| Certificate of Analysis | May 08, 2023 | T123278 | |
| Certificate of Analysis | Sep 21, 2022 | T123278 | |
| Certificate of Analysis | Sep 07, 2022 | T123278 | |
| Certificate of Analysis | Sep 07, 2022 | T123278 | |
| Certificate of Analysis | Sep 07, 2022 | T123278 |
| Solubility | 45% (w/v) aq 2-hydroxypropyl-β-cyclode?xtrin: soluble4.3 mg/mL ethanol: soluble5.6 mg/mL H2O: insoluble |
|---|---|
| Melt Point(°C) | 97.0°C-100.0°C |
| Molecular Weight | 284.350 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 284.152 Da |
| Monoisotopic Mass | 284.152 Da |
| Topological Polar Surface Area | 53.400 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 310.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →