4-Phenylpyridine - ≥97% , CAS No.939-23-1

CAS: 939-23-1 Cat. No.: P117997 分子式: C₁₁H₉N 分子量: 155.2 Beilstein Registry Number: 110490 EC番号: 213-357-4

GRADE & PURITY ≥97%

Synonyms

5SH | DTXSID5022140 | p-Phenylpyridine | SMR000112292 | AC-5099 | Q27258800 | NSC70375 | NSC-70375 | NCGC00247406-01 | NSC77935 | NSC-77935 | Pyridine, phenyl- | 4-PHENYLPYRIDINE | 4-Phenyl-pyridine | BRN 0110490 | EN300-49165 | SCHEMBL19003057 | 5-20-07-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

同義語

5SH | DTXSID5022140 | p-Phenylpyridine | SMR000112292 | AC-5099 | Q27258800 | NSC70375 | NSC-70375 | NCGC00247406-01 | NSC77935 | NSC-77935 | Pyridine, phenyl- | 4-PHENYLPYRIDINE | 4-Phenyl-pyridine | BRN 0110490 | EN300-49165 | SCHEMBL19003057 | 5-20-07-

仕様と純度

≥97%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488181881

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488181881

カノニカル・スマイル

C1=CC=C(C=C1)C2=CC=NC=C2

IUPAC Name

4-phenylpyridine

InChIKey

JVZRCNQLWOELDU-UHFFFAOYSA-N

INCHI

1S/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H

異性体SMILES

C1=CC=C(C=C1)C2=CC=NC=C2

WGKドイツ

3

RTECS

UT7141000

分子量

155.2

Beilstein

110490

Reaxy-Rn

110490

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110490&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylpyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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（人間）

MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

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

IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

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

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

Discover Target: IDH1

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

関連ターゲット（非人間）

Qdpr Dihydropteridine reductase (31 Activities)

Discover Target: Qdpr

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

bla OXA-48 (65 Activities)

Discover Target: bla

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: Solubility in water: Insoluble in cold water; Solubility in other solvents: Soluble in ethanol and ethyl ether;Solubility in Methanol almost transparency
• 感度: Air sensitive
• 沸点（°C）: 274-275°C
• 融点（°C）: 69-73°C
• 分子量: 155.200 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 155.073 Da
• Monoisotopic Mass: 155.073 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 121.000
• 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