Poly(α-methylstyrene) , CAS No.25014-31-7

CAS: 25014-31-7 Cat. No.: P491642 EC Number: 607-482-7

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

Store at 2-8°C

Shipped In

Wet ice

Overview

Product specifications and parameters：

P491642-10K	Poly(α-methylstyrene)	10K
P491642-30K	Poly(α-methylstyrene)	30K
P491642-100K	Poly(α-methylstyrene)	100K
P491642-200K	Poly(α-methylstyrene)	200K
P491642-400K	Poly(α-methylstyrene)	400K
P491642-500K	Poly(α-methylstyrene)	500K
P491642-600K	Poly(α-methylstyrene)	600K
P491642-700K	Poly(α-methylstyrene)	700K
P491642-1000K	Poly(α-methylstyrene)	1000K

Specifications

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

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: 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
• Isomeric 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
    • Class Benzene and substituted derivatives
      • Subclass Phenylpropenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 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

References

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]