(3-Bromo-2,5-dimethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine , CAS No.B669200

CAS: B669200 Cat. No.: B669200 Peso molecular: 272.14
Disponible para pedir
Synonyms
TCB-2 | (3-bromo-2,5-dimethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine | CHEBI:91625 | BDBM50194752 | NCGC00167788-01 | BRD-A31195449-004-01-9 | Q27163455 | (+/-)-(4-bromo-3,6-dimethoxybenzocyclobuten-1-yl)methylamine | 1-(3-bromo-2,5-dimethoxyb
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
B669200-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
Guardar 428,00 US$ (42.80%)
5mg
B669200-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (33.33%)
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Why this grade

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

Sinónimos
TCB-2 | (3-bromo-2, 5-dimethoxy-7-bicyclo[4.2.0]octa-1(6), 2, 4-trienyl)methanamine | CHEBI:91625 | BDBM50194752 | NCGC00167788-01 | BRD-A31195449-004-01-9 | Q27163455 | (+/-)-(4-bromo-3, 6-dimethoxybenzocyclobuten-1-yl)methylamine | 1-(3-bromo-2, 5-dimethoxyb
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP0.4
Nombres e identificadores
Sonrisas canónicasCOC1=CC(=C(C2=C1C(C2)CN)OC)Br
IUPAC Name(3-bromo-2,5-dimethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine
InChIKeyMPBCKKVERDTCEL-UHFFFAOYSA-N
INCHI1S/C11H14BrNO2/c1-14-9-4-8(12)11(15-2)7-3-6(5-13)10(7)9/h4,6H,3,5,13H2,1-2H3
Isómeros SMILES COC1=CC(=C(C2=C1C(C2)CN)OC)Br
Peso molecular 272.14
Reaxy-Rn 10668073
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10668073&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
SuperclassBenzenoids
ClasePhenol ethers
SubclassAnisoles
Intermediate Tree Nodes Not available
Direct ParentAnisoles
Alternative Parents Aralkylamines  Alkyl aryl ethers  Aryl bromides  Organopnictogen compounds  Organobromides  Monoalkylamines  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Anisole - Alkyl aryl ether - Aralkylamine - Aryl bromide - Aryl halide - Ether - Primary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
HTR2A Tclin 5-hydroxytryptamine receptor 2A (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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 molecular272.140 g/mol
XLogP30.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass271.021 Da
Monoisotopic Mass271.021 Da
Topological Polar Surface Area44.500 Ų
Heavy Atom Count15
Formal Charge0
Complexity227.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
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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