2-Bromoadamantane - ≥97%(GC) , CAS No.7314-85-4

CAS: 7314-85-4 Cat. No.: B133575 Fórmula: C₁₀H₁₅Br Peso molecular: 215.13 Número CE: 230-777-3

GRAU & PUREZA ≥97%(GC)

Synonyms

(trans)-4-(tert-butoxycarbonylamino)cyclohexyl methanesulfonate|2-bromanyladamantane|2-Bromotricyclo[3.3.1.13.7]decane|Tricyclo[3.3.1.1(3,7)]decane, 2-bromo-|Tricyclo[3.3.1.13,7]decane, 2-bromo-|Adamantane, 2-bromo-|2-bromotricyclo[3.3.1.1~3,7~]decane|2-Adamantyl bromide|2-Bromoadamantane|Tricyclo[3.3.1.1(3,7)]decane,2-bromo-

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

(trans)-4-(tert-butoxycarbonylamino)cyclohexyl methanesulfonate | 2-bromanyladamantane | 2-Bromotricyclo[3.3.1.13.7]decane | Tricyclo[3.3.1.1(3,7)]decane, 2-bromo- | Tricyclo[3.3.1.13,7]decane, 2-bromo- | Adamantane, 2-bromo- | 2-bromotricyclo[3.3.1.1~3,7~]decane | 2-Adamantyl bromide | 2-Bromoadamantane | Tricyclo[3.3.1.1(3,7)]decane,2-b Show more

Especificações e pureza

≥97%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%(GC)

Nomes e identificadores

Pubchem Sid

528757250

Sorrisos canónicos

C1C2CC3CC1CC(C2)C3Br

IUPAC Name

2-bromoadamantane

InChIKey

RCXJARRRXOPXBC-UHFFFAOYSA-N

INCHI

1S/C10H15Br/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2

SMILES isoméricas

C1C2CC3CC1CC(C2)C3Br

WGK Alemanha

3

Peso molecular

215.13

Reaxy-Rn

1852721

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1852721&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Organobromides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organobromides
• Alternative Parents: Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine atom.
• 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

Alvos associados (não humanos)

Saccharomyces cerevisiae (19171 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility in Methanol almost transparency
• Ponto de fusão (°C): 138-144 °C
• Peso molecular: 215.130 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 214.036 Da
• Monoisotopic Mass: 214.036 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 148.000
• 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: 1