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· · COA & SDS für jedes Produkt verfügbar · Versand am selben Tag für Lagerartikel WEHI-539 , CAS No.1431866-33-9
Synonyms
A13005 | NCGC00379003-03 | 1431866-33-9 | 5-[3-[4-(Aminomethyl)phenoxy]propyl]-2-[(8e)-8-(1,3-Benzothiazol-2-Ylhydrazinylidene)-6,7-Dihydro-5h-Naphthalen-2-Yl]-1,3-Thiazole-4-Carboxylic Acid | 5-(3-(4-(Aminomethyl)phenoxy)propyl)-2-(8-(2-(benzo[d]thiazol-
Storage
Lagerung bei -20°C
Shipped In
Eistruhe + Eispads
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Lagerung bei -20°C Ships Eistruhe + Eispads 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 Synonyme
A13005 | NCGC00379003-03 | 1431866-33-9 | 5-[3-[4-(Aminomethyl)phenoxy]propyl]-2-[(8e)-8-(1,3-Benzothiazol-2-Ylhydrazinylidene)-6,7-Dihydro-5h-Naphthalen-2-Yl]-1,3-Thiazole-4-Carboxylic Acid | 5-(3-(4-(Aminomethyl)phenoxy)propyl)-2-(8-(2-(benzo[d]thiazol-
Biochemische und physiologische Mechanismen
Beschreibung:
Storage
Lagerung bei -20°C
Verschickt in
Eistruhe + Eispads
Namen und Kennungen Kanonisches Lächeln
C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)C(=NNC5=NC6=CC=CC=C6S5)C1
IUPAC Name
5-[3-[4-(aminomethyl)phenoxy]propyl]-2-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]-1,3-thiazole-4-carboxylic acid
InChIKey
JKMWZKPAXZBYEH-JWHWKPFMSA-N
INCHI
1S/C31H29N5O3S2/c32-18-19-10-14-22(15-11-19)39-16-4-9-27-28(30(37)38)34-29(40-27)21-13-12-20-5-3-7-24(23(20)17-21)35-36-31-33-25-6-1-2-8-26(25)41-31/h1-2,6,8,10-15,17H,3-5,7,9,16,18,32H2,(H,33,36)(H,37,38)/b35-24+
Isomere SMILES
C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)/C(=N/NC5=NC6=CC=CC=C6S5)/C1
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ 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 Benzenoids Klasse Tetralins Subclass Not available Intermediate Tree Nodes Not available Direct Parent Tetralins Alternative Parents Benzothiazoles Thiazolecarboxylic acids and derivatives Phenylmethylamines Phenoxy compounds Phenol ethers 2,4,5-trisubstituted thiazoles Benzylamines Alkyl aryl ethers Aralkylamines Heteroaromatic compounds Amino acids Hydrazones Azacyclic compounds Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Tetralin - 1,3-benzothiazole - 2,4,5-trisubstituted 1,3-thiazole - Benzylamine - Phenol ether - Phenylmethylamine - Phenoxy compound - Thiazolecarboxylic acid or derivatives - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Thiazole - Azole - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Hydrazone - Organic oxygen compound - Amine - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound Beschreibung This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane. 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-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Löslichkeit 25°C: DMSO Molekulargewicht 583.700 g/mol XLogP3 4.400 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 10 Rotatable Bond Count 10 Exact Mass 583.171 Da Monoisotopic Mass 583.171 Da Topological Polar Surface Area 179.000 Ų Heavy Atom Count 41 Formal Charge 0 Complexity 903.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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