Poli(α-metilestireno) - Mw 300000 , CAS No.25014-31-7

CAS: 25014-31-7 Cat. No.: P347730 Número EC: 607-482-7

GRADE & PURITY Mw 300000

Synonyms

(1-Methylethenyl)benzene | Styrene, alpha-methyl- | 2-Phenylpropene | 2-phenyl-propene | ghl.PD_Mitscher_leg0.286 | .alpha.-Metil-stirolo | 1-Propene, 2-phenyl- | .ALPHA.-METHYLVINYLBENZENE | 1-METHYLVINYL BENZENE | D46R9753IK | Isopropenil-benzolo | alph

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

(1-Methylethenyl)benzene | Styrene, alpha-methyl- | 2-Phenylpropene | 2-phenyl-propene | ghl.PD_Mitscher_leg0.286 | .alpha.-Metil-stirolo | 1-Propene, 2-phenyl- | .ALPHA.-METHYLVINYLBENZENE | 1-METHYLVINYL BENZENE | D46R9753IK | Isopropenil-benzolo | alph

Especificaciones y pureza

Mw 300000

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Nombres e identificadores

• Sonrisas canónicas: CC(=C)C1=CC=CC=C1
• IUPAC Name: prop-1-en-2-ylbenzene
• InChIKey: XYLMUPLGERFSHI-UHFFFAOYSA-N
• INCHI: 1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
• Isómeros SMILES: CC(=C)C1=CC=CC=C1
• Reaxy-Rn: 969405
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969405&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylpropenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylpropenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropenes
• Alternative Parents: Styrenes Aromatic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropene - Styrene - Aromatic hydrocarbon - Branched unsaturated hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpropenes. These are compounds containing a phenylpropene moiety, which consists of a propene substituent bound to a phenyl group.
• External Descriptors: olefinic compound

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

Objetivos asociados (humanos)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Objetivos asociados (no humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 118.180 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 118.078 Da
• Monoisotopic Mass: 118.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 96.600
• 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

Referencias

1. Liu Yifeng, Liu Zhiqiang, Hui Yu, Wang Liang, Zhang Jian, Yi Xianfeng, Chen Wei, Wang Chengtao, Wang Hai, Qin Yucai, Song Lijuan, Zheng Anmin, Xiao Feng-Shou.  (2023)  Rhodium nanoparticles supported on silanol-rich zeolites beyond the homogeneous Wilkinson’s catalyst for hydroformylation of olefins.  Nature Communications,  14  (1): (1-9).  [PMID:37137908] [10.1038/s41467-023-38181-6]

2. Yingpeng Huo, Jiwen Hu, Yuanyuan Tu, Zhenzhu Huang, Shudong Lin, Xiaojiong Luo, Chao Feng.  (2021)  Efficient magnetically separable heterogeneous platinum catalyst bearing imidazolyl schiff base ligands for hydrosilylation.  JOURNAL OF ORGANOMETALLIC CHEMISTRY,      [PMID:] [10.1016/j.jorganchem.2021.121714]

3. Yingpeng Huo, Jiwen Hu, Yuanyuan Tu, Zhenzhu Huang, Shudong Lin, Yangfei Hu, Chao Feng.  (2020)  Platinum-Imidazolyl Schiff Base Complexes Immobilized in Periodic Mesoporous Organosilica Frameworks as Catalysts for Hydrosilylation.  APPLIED ORGANOMETALLIC CHEMISTRY,  34  (8): (e5697).  [PMID:] [10.1002/aoc.5697]

4. Xin Yang, Kan Hu, Guantai Hu, Danyao Shi, Yunjiang Jiang, Liwei Hui, Rui Zhu, Yuntao Xie, Lihua Yang.  (2014)  Long Hydrophilic-and-Cationic Polymers: A Different Pathway toward Preferential Activity against Bacterial over Mammalian Membranes.  BIOMACROMOLECULES,      [PMID:25068991] [10.1021/bm5006596]