4-((3,4-Dihydroquinolin-1(2H)-yl)sulfonyl)aniline - ≥95% , CAS No.5455-89-0

CAS: 5455-89-0 Cat. No.: Y696412 Peso molecular: 288.37 PubChem CID: 221221
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
250mg
Y696412-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

54,90US$

82,90US$
Guardar 28,00 US$ (33.78%)
1g
Y696412-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

146,90US$

220,90US$
Guardar 74,00 US$ (33.50%)
5g
Y696412-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

441,90US$

662,90US$
Guardar 221,00 US$ (33.34%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% 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

Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥95%
Nombres e identificadores
Sonrisas canónicasC1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)N
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)aniline
InChIKeyOFHUMRFYQYBKIN-UHFFFAOYSA-N
INCHI1S/C15H16N2O2S/c16-13-7-9-14(10-8-13)20(18,19)17-11-3-5-12-4-1-2-6-15(12)17/h1-2,4,6-10H,3,5,11,16H2
Isómeros SMILES C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3=CC=C(C=C3)N
PubChem CID 221221
Peso molecular 288.37

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
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassBenzenesulfonamides
Intermediate Tree Nodes Not available
Direct ParentAminobenzenesulfonamides
Alternative Parents Hydroquinolines  Benzenesulfonyl compounds  Aniline and substituted anilines  Organosulfonamides  Sulfonyls  Azacyclic compounds  Primary amines  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Aminobenzenesulfonamide - Tetrahydroquinoline - Benzenesulfonyl group - Aniline or substituted anilines - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organic nitrogen compound - Amine - Primary amine - Organosulfur compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
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Objetivos asociados (no humanos)
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NS1 Nonstructural protein 1 (33327 Activities)
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Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular288.400 g/mol
XLogP32.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass288.093 Da
Monoisotopic Mass288.093 Da
Topological Polar Surface Area71.800 Ų
Heavy Atom Count20
Formal Charge0
Complexity424.000
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 soluciones
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