3-Acetamidocoumarin - ≥98% , CAS No.779-30-6

CAS: 779-30-6 Cat. No.: A137036 Summenformel: C11H9NO3 Molekulargewicht: 203.2
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QUALITÄT & REINHEIT ≥98%
Synonyms
(2alpha,4alpha,6alpha,8beta)-2,4,6,8-tetramethyltetraphenylcyclotetrasiloxane | BPBio1_001075 | MFCD00075556 | N-(2-oxochromen-3-yl)acetamide | 0Y299JY9V3 | BTB 01088 | 3-Acetylaminocoumarin;N-(2-Oxo-2H-chromen-3-yl)acetamide | J-510151 | A839295 | NSC658
Storage
Room temperature
Shipped In
Normal
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Menge
250mg
A137036-250mg
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29,42€

44,17€
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1g
A137036-1g
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76,27€

114,45€
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5g
A137036-5g
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274,12€

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Warum diese Qualität

≥98% für empfindliche chromatographische und analytische Workflows, die minimale Basislinieninterferenzen erfordern.

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Lagerung & Versand

Room temperature Versand Normal. Genaue Spezifikationen finden Sie im chargenspezifischen COA.

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Qualitätsdokumente

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Literaturbeleg

In 0 peer-reviewten Publikationen zu Chromatographie, organischer Synthese und Kreuzkupplungsreaktionen zitiert.

Spezifikationen

Synonyme
(2alpha,4alpha,6alpha,8beta)-2,4,6,8-tetramethyltetraphenylcyclotetrasiloxane | BPBio1_001075 | MFCD00075556 | N-(2-oxochromen-3-yl)acetamide | 0Y299JY9V3 | BTB 01088 | 3-Acetylaminocoumarin;N-(2-Oxo-2H-chromen-3-yl)acetamide | J-510151 | A839295 | NSC658
Spezifikationen & Reinheit
≥98%
Storage
Room temperature
Verschickt in
Normal
Reinheit
≥98%
Namen und Kennungen
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488187892
Kanonisches Lächeln
CC(=O)NC1=CC2=CC=CC=C2OC1=O
IUPAC Name
N-(2-oxochromen-3-yl)acetamide
InChIKey
XJYLCCJIDYSFMB-UHFFFAOYSA-N
INCHI
1S/C11H9NO3/c1-7(13)12-9-6-8-4-2-3-5-10(8)15-11(9)14/h2-6H,1H3,(H,12,13)
Isomere SMILES
CC(=O)NC1=CC2=CC=CC=C2OC1=O
Molekulargewicht
203.2
Reaxy-Rn
172790
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=172790&ln=

Dokumentation

📋 Sicherheitsdatenblatt (SDS)

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<<<<<<< HEAD SDS herunterladen → ======= SDS herunterladen → >>>>>>> release248-p3

✅ Analysezertifikat (COA)

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📊 Datenblatt

Kurzübersicht über Produktspezifikationen und Anwendungen.

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Erweiterte Daten

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
KlasseCoumarins and derivatives
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentCoumarins and derivatives
Alternative Parents 1-benzopyrans  Pyranones and derivatives  Benzenoids  Heteroaromatic compounds  Lactones  Propargyl-type 1,3-dipolar organic compounds  Oxacyclic compounds  Carboximidic acids  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Coumarin - Benzopyran - 1-benzopyran - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidic acid derivative - Carboximidic acid - Oxacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOB Tclin Monoamine oxidase B (8835 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMN1 Tchem Survival motor neuron protein (34246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCT2 T-complex protein 1 subunit beta (5007 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
gyrB DNA gyrase (2092 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

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5 results found

Lot NumberCertificate TypeDatumArtikel
C2306611C2306611Certificate of AnalysisSep 01, 2026 A137036
L2402076L2402076Certificate of AnalysisSep 01, 2026 A137036
L2402077L2402077Certificate of AnalysisSep 01, 2026 A137036
L2402078L2402078Certificate of AnalysisSep 01, 2026 A137036
E1722209E1722209Certificate of AnalysisMay 21, 2026 A137036
Chemische und physikalische Eigenschaften
Schmelzpunkt (°C)208 °C
Molekulargewicht203.190 g/mol
XLogP31.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass203.058 Da
Monoisotopic Mass203.058 Da
Topological Polar Surface Area55.400 Ų
Heavy Atom Count15
Formal Charge0
Complexity322.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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