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· · COA & SDS available for every product · Same-day shipping on in-stock items 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, (+/-)-
Specifications 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 Show more
Product Properties Names and Identifiers Canonical Smiles
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
Isomeric 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=
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class 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 Description 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.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 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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