BD 1047 dihydrobromide - 10mM in DMSO , CAS No.138356-21-5

CAS: 138356-21-5 Cat. No.: B421446 Fórmula: C₁₃H₂₀Cl₂N₂.2HBr Peso molecular: 437.04 Número EC: 687-387-5 PubChem CID: 45073418

GRADE & PURITY 10mM in DMSO

Synonyms

(1R,2S)-2-methylamino-1-phenylpropan-1-ol | BD 1047 dihydrobromide, >=95% (HPLC) | SR-01000597974 | BD1047dihydrobromide | BD-1047dihydrobromide | FT-0700184 | SR-01000597974-1 | BD1047 2HBr | BD-1047 2HBr | 1,2-Ethanediamine, N1-[2-(3,4-dichlorophenyl)et

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

(1R,2S)-2-methylamino-1-phenylpropan-1-ol | BD 1047 dihydrobromide, >=95% (HPLC) | SR-01000597974 | BD1047dihydrobromide | BD-1047dihydrobromide | FT-0700184 | SR-01000597974-1 | BD1047 2HBr | BD-1047 2HBr | 1,2-Ethanediamine, N1-[2-(3,4-dichlorophenyl)et

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ANTAGONIST

Nombres e identificadores

Pubchem Sid

528763405

Sonrisas canónicas

CN(C)CCN(C)CCC1=CC(=C(C=C1)Cl)Cl.Br.Br

IUPAC Name

N'-[2-(3,4-dichlorophenyl)ethyl]-N,N,N'-trimethylethane-1,2-diamine;dihydrobromide

InChIKey

WOALTFHGLDVJHK-UHFFFAOYSA-N

INCHI

1S/C13H20Cl2N2.2BrH/c1-16(2)8-9-17(3)7-6-11-4-5-12(14)13(15)10-11;;/h4-5,10H,6-9H2,1-3H3;2*1H

Isómeros SMILES

CN(C)CCN(C)CCC1=CC(=C(C=C1)Cl)Cl.Br.Br

PubChem CID

45073418

Peso molecular

437.04

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: Dichlorobenzenes Aralkylamines Aryl chlorides Trialkylamines Organochlorides Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenethylamine - 1,2-dichlorobenzene - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Tertiary aliphatic amine - Tertiary amine - Organohalogen compound - Amine - Hydrobromide - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
• 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.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 437.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 435.951 Da
• Monoisotopic Mass: 433.953 Da
• Topological Polar Surface Area: 6.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 212.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3