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· · COA & SDS available for every product · Same-day shipping on in-stock items Celipolol Hydrochloride - ≥98% , CAS No.57470-78-7
Synonyms
3-(3-Acetyl-4-(3-tert-butylamino-2-hydroxypropoxy)phenyl)-1,1-diethylharnstoff HCl [German] | Selectrol | SR-01000872714 | St 1396 | 3-(3-Acetyl-4-(3-tert-butylamino-2-hydroxypropoxy)phenyl)-1,1-diethylurea hydrochloride | Urea, N'-(3-acetyl-4-(3-((1,1-di
Storage
Room temperature,Argon charged
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Argon charged Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
3-(3-Acetyl-4-(3-tert-butylamino-2-hydroxypropoxy)phenyl)-1,1-diethylharnstoff HCl [German] | Selectrol | SR-01000872714 | St 1396 | 3-(3-Acetyl-4-(3-tert-butylamino-2-hydroxypropoxy)phenyl)-1,1-diethylurea hydrochloride | Urea, N'-(3-acetyl-4-(3-((1,1-di
Specifications & Purity
≥98%
Storage
Room temperature,Argon charged
Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504753613
Canonical Smiles
CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C.Cl
IUPAC Name
3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea;hydrochloride
InChIKey
VKJHTUVLJYWAEY-UHFFFAOYSA-N
INCHI
1S/C20H33N3O4.ClH/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6;/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26);1H
Isomeric SMILES
CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C.Cl
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5387269&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
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Download SDS → =======
Download SDS → >>>>>>> release248-p3
✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents N-phenylureas Acetophenones Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Ureas Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - N-phenylurea - Acetophenone - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Carbonic acid derivative - 1,2-aminoalcohol - Urea - Secondary amine - Ether - Secondary aliphatic amine - Hydrochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Alcohol - Organic nitrogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Mechanisms of Action Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility ≤2mg/ml in ethanol;10mg/ml in DMSO;10mg/ml in dimethyl formamide Molecular Weight 416.000 g/mol XLogP3 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 10 Exact Mass 415.224 Da Monoisotopic Mass 415.224 Da Topological Polar Surface Area 90.900 Ų Heavy Atom Count 28 Formal Charge 0 Complexity 474.000 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 2
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