Desmethyldoxepin - analytical standard, cis/trans, 1.0 mg/mL in methanol , CAS No.58534-46-6

CAS: 58534-46-6 Cat. No.: D1041542 Fórmula: C18H19NO Peso molecular: 265.300
Disponible para pedir
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. cis/trans, 1.0 mg/mL in methanol
Storage
Room temperature
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Size
Alemania (EU)
USA*
Price
Qty
1ml
D1041542-1ml
Fabricado bajo pedido · 8–12 semanas
48,51€
Enter a quantity for the sizes you want to add.
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Why this grade

analytical standard, cis/trans, 1.0 mg/mL in methanol Patrón analítico for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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

Especificaciones y pureza
analytical standard, cis/trans, 1.0 mg/mL in methanol
Condiciones de almacenamiento de almacenamiento
Room temperature
Grado
Patrón analítico
Nombres e identificadores
Sonrisas canónicasCNCC/C=C\1/C2=CC=CC=C2COC3=CC=CC=C31
IUPAC Name(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methylpropan-1-amine
InChIKeyHVKCEFHNSNZIHO-YBEGLDIGSA-N
INCHI1S/C18H19NO/c1-19-12-6-10-16-15-8-3-2-7-14(15)13-20-18-11-5-4-9-17(16)18/h2-5,7-11,19H,6,12-13H2,1H3/b16-10-
Peso molecular 265.300

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
ClaseBenzoxepines
SubclassDibenzoxepines
Intermediate Tree Nodes Not available
Direct ParentDibenzoxepines
Alternative Parents Alkyl aryl ethers  Benzenoids  Oxacyclic compounds  Dialkylamines  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Dibenzoxepine - Alkyl aryl ether - Benzenoid - Oxacycle - Secondary amine - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular265.300 g/mol
XLogP33.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass265.147 Da
Monoisotopic Mass265.147 Da
Topological Polar Surface Area21.300 Ų
Heavy Atom Count20
Formal Charge0
Complexity338.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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