Datelliptium , CAS No.81531-57-9

CAS: 81531-57-9 Cat. No.: D667960 Fórmula: C23H28N3O⁺ Peso molecular: 362.5
Disponível para encomenda
Synonyms
Detalliptinium | DATELLIPTIUM | Datelliptium ion | Datelliptium cation | L374Y6WE0D | SR 95156B | UNII-L374Y6WE0D | Diethylaminoethyl-2-oh-9-ellipticinium | NCI60_002685 | 2-Diethylaminoethyl-9-hydroxyellipticinium | Neuro_000158 | DTXSID90869441 | BDBM50
Storage
Room temperature
Size
Alemanha (EU)
USA*
Price
Qty
1mg
D667960-1mg
Sob encomenda · 8–12 semanas

496,26€

744,43€
Gravar 248,17 € (33.34%)
5mg
D667960-5mg
Sob encomenda · 8–12 semanas

1735,39€

2603,13€
Gravar 867,74 € (33.33%)
Enter a quantity for the sizes you want to add.
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
Detalliptinium | DATELLIPTIUM | Datelliptium ion | Datelliptium cation | L374Y6WE0D | SR 95156B | UNII-L374Y6WE0D | Diethylaminoethyl-2-oh-9-ellipticinium | NCI60_002685 | 2-Diethylaminoethyl-9-hydroxyellipticinium | Neuro_000158 | DTXSID90869441 | BDBM50
Condições de armazenamento de armazenamento
Room temperature
Propriedades do produto
ALogP5.3
Nomes e identificadores
Sorrisos canónicosCCN(CC)CC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)O)C
IUPAC Name2-[2-(diethylamino)ethyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-ol
InChIKeyNGOHTJBYABHJKF-UHFFFAOYSA-O
INCHI1S/C23H27N3O/c1-5-25(6-2)11-12-26-10-9-18-16(4)23-22(15(3)20(18)14-26)19-13-17(27)7-8-21(19)24-23/h7-10,13-14,27H,5-6,11-12H2,1-4H3/p+1
SMILES isoméricas CCN(CC)CC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)O)C
Peso molecular 362.5
Reaxy-Rn 6940251
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6940251&ln=

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

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseIndoles and derivatives
SubclassCarbazoles
Intermediate Tree Nodes Not available
Direct ParentCarbazoles
Alternative Parents Isoquinolines and derivatives  Hydroxyindoles  Indoles  1-hydroxy-2-unsubstituted benzenoids  Pyridinium derivatives  Pyrroles  Heteroaromatic compounds  Trialkylamines  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Hydrocarbon derivatives  Organic cations  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Carbazole - Isoquinoline - Hydroxyindole - Indole - 1-hydroxy-2-unsubstituted benzenoid - Pyridine - Benzenoid - Pyridinium - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
KIT Tclin Mast/stem cell growth factor receptor Kit (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KIT Tclin Stem cell growth factor receptor (10667 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Peso molecular362.500 g/mol
XLogP35.300
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass362.223 Da
Monoisotopic Mass362.223 Da
Topological Polar Surface Area43.100 Ų
Heavy Atom Count27
Formal Charge1
Complexity496.000
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
Calculadoras de soluções
Revisões

Avaliações dos Clientes

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