7-アミノフラボン - ≥97% , CAS No.15847-18-4

CAS: 15847-18-4 Cat. No.: A338652 分子式: C₁₅H₁₁NO₂ 分子量: 237.25 EC番号: 625-114-3

GRADE & PURITY ≥97%

Synonyms

DTXSID60584331｜7-アミノフラボン｜J-009502｜4H-1-ベンゾピラン-4-オン｜7-アミノ-2-フェニル｜7-アミノ-2-フェニル-4H-クロメン-4-オン｜FT-0769589｜7-アミノフラボン97｜7-アミノ-2-フェニル-4H-1-ベンゾピラン-4-オン｜JGSKYGCPGCBEET-UHFFFAOYS

Storage

室温

Shipped In

ノーマル

Specifications

同義語

DTXSID60584331｜7-アミノフラボン｜J-009502｜4H-1-ベンゾピラン-4-オン｜7-アミノ-2-フェニル｜7-アミノ-2-フェニル-4H-クロメン-4-オン｜FT-0769589｜7-アミノフラボン97｜7-アミノ-2-フェニル-4H-1-ベンゾピラン-4-オン｜JGSKYGCPGCBEET-UHFFFAOYS

仕様と純度

≥97%

保管条件

室温

入荷

ノーマル

純度

≥97%

名前と識別子

カノニカル・スマイル

C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)N

IUPAC Name

7-amino-2-phenylchromen-4-one

InChIKey

JGSKYGCPGCBEET-UHFFFAOYSA-N

INCHI

1S/C15H11NO2/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9H,16H2

異性体SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)N

WGKドイツ

3

分子量

237.25

Reaxy-Rn

194087

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=194087&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Flavonoids
      • Subclass Flavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Flavonoids
• Subclass: Flavones
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavones
• Alternative Parents: Chromones Pyranones and derivatives Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavone - Chromone - Benzopyran - 1-benzopyran - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Organoheterocyclic compound - Oxacycle - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-one).
• 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

化学的性質と物理的性質

• 融点（°C）: 184-188° C (lit.)
• 分子量: 237.250 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 237.079 Da
• Monoisotopic Mass: 237.079 Da
• Topological Polar Surface Area: 52.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 358.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 15847-18-4, the molecular formula is C15H11NO2, and the molecular weight is 237.25 g/mol. InChIKey JGSKYGCPGCBEET-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.