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· · COA & SDS Disponible para cada producto · Envío el mismo día para artículos en stock Bromo-dragonfly, (+/-)- , CAS No.219986-94-4
Synonyms
Dob-dragonfly, (+/-)-|Bromo-dragonfly, (+/-)-|3c-Bromo-dragonfly, (+/-)-|8-Bromo-alpha-methylbenzo(1,2-b:4,5-b')difuran-4-ethanamine|Benzo(1,2-b:4,5-b')difuran-4-ethanamine, 8-bromo-alpha-methyl-|8-Bromo-alpha-methylbenzo(1,2-b:4,5-b')difuran-4-ethanamine, (+/-)-|(+/-)-bromo-dragonfly|Bromo-DragonFLY (R/S)|1-(8-bromofuro[2,3-f][1]benzofuran-4-yl)-2-propanamine|2-(8-Bromo-benzo[1,2-b;4,5-b'']difuran-4-yl)-1-methyl-ethylamine|8-BROMO-.ALPHA.-METHYLBENZO(1,2-B:4,5-B')DIFURAN-4-ETHANAMINE|BENZO(1,2-B:4,5-B')DIFURAN-4-ETHANAMINE, 8-BROMO-.ALPHA.-METHYL-|8-BROMO-.ALPHA.-METHYLBENZO(1,2-B:4,5-B')DIFURAN-4-ETHANAMINE, (+/-)-
Especificaciones Sinónimos
Dob-dragonfly, (+/-)- | Bromo-dragonfly, (+/-)- | 3c-Bromo-dragonfly, (+/-)- | 8-Bromo-alpha-methylbenzo(1,2-b:4,5-b')difuran-4-ethanamine | Benzo(1,2-b:4,5-b')difuran-4-ethanamine, 8-bromo-alpha-methyl- | 8-Bromo-alpha-methylbenzo(1,2-b:4,5-b')difuran-4-ethanamine, (+/-)- | (+/-)-bromo-dragonfly | Bromo-DragonFLY (R/S) | 1-(8-bromofuro[2 Show more
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto Nombres e identificadores Sonrisas canónicas
CC(CC1=C2C=COC2=C(C3=C1OC=C3)Br)N
IUPAC Name
1-(4-bromofuro[2,3-f][1]benzofuran-8-yl)propan-2-amine
InChIKey
GIKPTWKWYXCBEC-UHFFFAOYSA-N
INCHI
1S/C13H12BrNO2/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10/h2-5,7H,6,15H2,1H3
Isómeros SMILES
CC(CC1=C2C=COC2=C(C3=C1OC=C3)Br)N
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8209670&ln=
Datos avanzados Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Clase Benzofurans Subclass Benzodifurans Intermediate Tree Nodes Not available Direct Parent Benzodifurans Alternative Parents Aralkylamines Benzenoids Aryl bromides Heteroaromatic compounds Furans Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Organobromides Monoalkylamines Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzodifuran - Aralkylamine - Aryl bromide - Aryl halide - Benzenoid - Furan - Heteroaromatic compound - Oxacycle - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as benzodifurans. These are organic heterocyclic compounds containing a to furan rings fused to a central benzene ring. They can be grouped in angular and linear benzodifurans. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Estructura 3D Objetivos asociados (humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 294.140 g/mol XLogP3 3.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 293.005 Da Monoisotopic Mass 293.005 Da Topological Polar Surface Area 52.300 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 289.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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