Bromantane - ≥98% , CAS No.87913-26-6

CAS: 87913-26-6 Cat. No.: B355166 Fórmula: C₁₆H₂₀BrN Peso molecular: 306.24 Número CE: 687-739-8

GRAU & PUREZA ≥98%

Synonyms

UNII-N1ILS53XWK | AS-54469 | Tricyclo(3.3.1.13,7)decan-2-amine, N-(4-bromophenyl)- | Ladasten | bromontan | Tricyclo[3.3.1.13,7]decan-2-amine, N-(4-bromophenyl)- | N-(4-bromophenyl)-2-adamantanamine | Q385533 | N-(4-bromophenyl)adamantan-2-amine | N-(4-Br

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

UNII-N1ILS53XWK | AS-54469 | Tricyclo(3.3.1.13,7)decan-2-amine, N-(4-bromophenyl)- | Ladasten | bromontan | Tricyclo[3.3.1.13,7]decan-2-amine, N-(4-bromophenyl)- | N-(4-bromophenyl)-2-adamantanamine | Q385533 | N-(4-bromophenyl)adamantan-2-amine | N-(4-Br

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504763095

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763095

Sorrisos canónicos

C1C2CC3CC1CC(C2)C3NC4=CC=C(C=C4)Br

IUPAC Name

N-(4-bromophenyl)adamantan-2-amine

InChIKey

LWJALJDRFBXHKX-UHFFFAOYSA-N

INCHI

1S/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2

SMILES isoméricas

C1C2CC3CC1CC(C2)C3NC4=CC=C(C=C4)Br

Peso molecular

306.24

Reaxy-Rn

20308006

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20308006&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Aralkylamines
          • Level6 Phenylalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Aralkylamines
• Direct Parent: Phenylalkylamines
• Alternative Parents: Aniline and substituted anilines Secondary alkylarylamines Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Secondary amine - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylalkylamines. These are organic amines where the amine group is secondary and linked on one end to a phenyl group and on the other end, to an alkyl group.
• 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)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Ponto de fusão (°C): 105-107° C
• Peso molecular: 306.240 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 305.078 Da
• Monoisotopic Mass: 305.078 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 280.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 87913-26-6, the molecular formula is C16H20BrN, and the molecular weight is 306.24 g/mol. InChIKey LWJALJDRFBXHKX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.