Bromantane - ≥98% , CAS No.87913-26-6

CAS: 87913-26-6 Cat. No.: B355166 分子式: C₁₆H₂₀BrN 分子量: 306.24 EC番号: 687-739-8

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

504763095

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

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

分子量

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
    • 分類 Organonitrogen compounds
      • Subclass Amines
        • Level5 Aralkylamines
          • Level6 Phenylalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Chloroform (Slightly), Ethyl Acetate (Slightly)
• 融点（°C）: 105-107° C
• 分子量: 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

よくある質問

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.