1-(8-Bromo-2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b']difuran-4-yl)propan-2-amine , CAS No.219986-75-1

CAS: 219986-75-1 Cat. No.: B669061 Molecular Weight: 298.18
AVAILABLE TO ORDER
Synonyms
1-(8-Bromo-2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b']difuran-4-yl)propan-2-amine | 3C-B-Fly | 2-(8-Bromo-2,3,6,7-tetrahydro-benzo[1,2-b;4,5-b']difuran-4-yl)-1-methyl-ethylamine | 7FBG8DMS2E | 1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
B669061-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
B669061-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (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

Synonyms
1-(8-Bromo-2, 3, 6, 7-tetrahydrobenzo[1, 2-b:4, 5-b']difuran-4-yl)propan-2-amine | 3C-B-Fly | 2-(8-Bromo-2, 3, 6, 7-tetrahydro-benzo[1, 2-b;4, 5-b']difuran-4-yl)-1-methyl-ethylamine | 7FBG8DMS2E | 1-(4-bromo-2, 3, 6, 7-tetrahydrofuro[2, 3-f][1]benzofuran-8-yl)propan-2-
Storage
Room temperature
Product Properties
ALogP2.4
Names and Identifiers
Canonical SmilesCC(CC1=C2CCOC2=C(C3=C1OCC3)Br)N
IUPAC Name1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine
InChIKeyFKRREVSELFOLDT-UHFFFAOYSA-N
INCHI1S/C13H16BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h7H,2-6,15H2,1H3
Isomeric SMILES CC(CC1=C2CCOC2=C(C3=C1OCC3)Br)N
Molecular Weight 298.18
Reaxy-Rn 7623989
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7623989&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.

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📊 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
ClassCoumarans
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentCoumarans
Alternative Parents Aralkylamines  Alkyl aryl ethers  Benzenoids  Aryl bromides  Oxacyclic compounds  Organobromides  Monoalkylamines  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Coumaran - Alkyl aryl ether - Aralkylamine - Aryl bromide - Aryl halide - Benzenoid - Ether - Oxacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HTR2A Tclin 5-hydroxytryptamine receptor 2A (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTR2C Tclin 5-hydroxytryptamine receptor 2C (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTR2B Tclin 5-hydroxytryptamine receptor 2B (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight298.180 g/mol
XLogP32.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass297.036 Da
Monoisotopic Mass297.036 Da
Topological Polar Surface Area44.500 Ų
Heavy Atom Count17
Formal Charge0
Complexity289.000
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
Solution Calculators
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