≥97%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated 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.
| Pubchem Sid | 504772602 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504772602 |
| Canonical Smiles | CCN(CC)CC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2OC)C3CCNC3.Cl.Cl |
| IUPAC Name | 4-(diethylaminomethyl)-N-[2-(2-methoxyphenyl)ethyl]-N-[(3R)-pyrrolidin-3-yl]benzamide;dihydrochloride |
| InChIKey | GSUZWFZKTIOWTI-MQWQBNKOSA-N |
| INCHI | 1S/C25H35N3O2.2ClH/c1-4-27(5-2)19-20-10-12-22(13-11-20)25(29)28(23-14-16-26-18-23)17-15-21-8-6-7-9-24(21)30-3;;/h6-13,23,26H,4-5,14-19H2,1-3H3;2*1H/t23-;;/m1../s1 |
| Isomeric SMILES | CCN(CC)CC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2OC)[C@@H]3CCNC3.Cl.Cl |
| Alternate CAS | 947303-87-9 |
| PubChem CID | 90488837 |
| Molecular Weight | 482.49 |
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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzamides |
| Alternative Parents | Phenylmethylamines Phenoxy compounds Methoxybenzenes Anisoles Benzylamines Benzoyl derivatives Alkyl aryl ethers Aralkylamines Tertiary carboxylic acid amides Pyrrolidines Trialkylamines Amino acids and derivatives Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Hydrochlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzamide - Anisole - Benzoyl - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Phenoxy compound - Aralkylamine - Alkyl aryl ether - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Organic oxide - Organic oxygen compound - Hydrochloride - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring. |
| 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 |
|---|---|---|---|
 H2203539 | Certificate of Analysis | May 12, 2025 | P288702 |
| H2203540 | Certificate of Analysis | May 12, 2025 | P288702 |
| H2203541 | Certificate of Analysis | May 12, 2025 | P288702 |
| H2203542 | Certificate of Analysis | May 12, 2025 | P288702 |
| H2203543 | Certificate of Analysis | May 12, 2025 | P288702 |
| Solubility | Solvent:water, Max Conc. mg/mL: 24.12, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 24.12, Max Conc. mM: 50 |
|---|---|
| Molecular Weight | 482.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 10 |
| Exact Mass | 481.226 Da |
| Monoisotopic Mass | 481.226 Da |
| Topological Polar Surface Area | 44.800 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 503.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 3 |
