Determine the necessary mass, volume, or concentration for preparing a solution.
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≥96% 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.
SB 699551 dihydrochloride has been used to identify the antagonism of 5-HT2AR in cell culture-derived hepatitis C virus (HCVcc).
| Sonrisas canónicas | CN(C)CCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)CNCCC3=CC=CC=C3)C(=O)CCC4CCCC4.Cl.Cl |
|---|---|
| IUPAC Name | 3-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]propanamide;dihydrochloride |
| InChIKey | QJMKBIHLMPTYTI-UHFFFAOYSA-N |
| INCHI | 1S/C34H45N3O.2ClH/c1-36(2)24-25-37(34(38)21-16-28-10-6-7-11-28)27-31-14-19-33(20-15-31)32-17-12-30(13-18-32)26-35-23-22-29-8-4-3-5-9-29;;/h3-5,8-9,12-15,17-20,28,35H,6-7,10-11,16,21-27H2,1-2H3;2*1H |
| Isómeros SMILES | CN(C)CCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)CNCCC3=CC=CC=C3)C(=O)CCC4CCCC4.Cl.Cl |
| WGK Alemania | 3 |
| PubChem CID | 11983346 |
| Peso molecular | 584.66 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Biphenyls and derivatives |
| Alternative Parents | Phenethylamines Phenylmethylamines Benzylamines Aralkylamines Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Dialkylamines Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Biphenyl - Phenethylamine - Benzylamine - Phenylmethylamine - Aralkylamine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Hydrochloride - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond. |
| 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 | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Dec 13, 2023 | S288785 | |
| Certificate of Analysis | Dec 13, 2023 | S288785 | |
| Certificate of Analysis | Dec 13, 2023 | S288785 | |
| Certificate of Analysis | Dec 13, 2023 | S288785 | |
| Certificate of Analysis | Dec 13, 2023 | S288785 | |
| Certificate of Analysis | Dec 13, 2023 | S288785 | |
| Certificate of Analysis | Dec 13, 2023 | S288785 | |
| Certificate of Analysis | Dec 13, 2023 | S288785 | |
| Certificate of Analysis | Dec 13, 2023 | S288785 | |
| Certificate of Analysis | Dec 13, 2023 | S288785 |
| Solubilidad | Solvent:DMSO, Max Conc. mg/mL: 14.62, Max Conc. mM: 25; Solvent:ethanol, Max Conc. mg/mL: 5.85, Max Conc. mM: 10 |
|---|---|
| Sensibilidad | Moisture sensitive |
| Peso molecular | 584.700 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 14 |
| Exact Mass | 583.31 Da |
| Monoisotopic Mass | 583.31 Da |
| Topological Polar Surface Area | 35.600 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 638.000 |
| 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 | 3 |