Triphenylacrylonitrile - ≥98% , CAS No.6304-33-2

CAS: 6304-33-2 Cat. No.: T353020 Formula: C₂₁H₁₅N Peso molecolare: 281.35 Beilstein Registry Number: 1980289 Numero EC: 228-610-4 PubChem CID: 22743

GRADE & PURITY ≥98%

Synonyms

alpha,beta-Diphenylcinnamonitrile | PD180111 | Acrylonitrile, 2,2,3-triphenyl- | 2,3,3-triphenyl-2-propenenitrile | FT-0636085 | HMS3078C14 | SCHEMBL1343904 | 2,3, 3-Triphenylacrylonitrile | 33Q5RZG6CP | AKOS025117037 | WLN: NCYR&UYR&R | CHEBI:34217 | NSC

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

alpha,beta-Diphenylcinnamonitrile | PD180111 | Acrylonitrile, 2,2,3-triphenyl- | 2,3,3-triphenyl-2-propenenitrile | FT-0636085 | HMS3078C14 | SCHEMBL1343904 | 2,3, 3-Triphenylacrylonitrile | 33Q5RZG6CP | AKOS025117037 | WLN: NCYR&UYR&R | CHEBI:34217 | NSC

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504753098

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753098

Sorrisi canonici

C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=CC=C3)C#N

IUPAC Name

2,3,3-triphenylprop-2-enenitrile

InChIKey

OPACMJHTQWVSKW-UHFFFAOYSA-N

INCHI

1S/C21H15N/c22-16-20(17-10-4-1-5-11-17)21(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H

Isomeri SMILES

C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=CC=C3)C#N

RTECS

AT7100000

PubChem CID

22743

Numero UN

3276

Gruppo di imballaggio

III

Peso molecolare

281.35

Beilstein

1980289

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Diphenylmethanes Nitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Diphenylmethane - Benzenoid - Monocyclic benzene moiety - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• External Descriptors: stilbenoid

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

Obiettivi associati (umani)

BT-20 (503 Activities)

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MCF7 (126967 Activities)

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MCF7S (266 Activities)

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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

POLH Tchem DNA polymerase eta (21678 Activities)

Discover Target: POLH

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

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Obiettivi associati (non umani)

ESR1 Estrogen receptor (4 Activities)

Discover Target: ESR1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water.
• Indice di rifrazione: n20D1.63 (Predicted)
• Punto di ebollizione (°C): 403.17° C at 760 mmHg (Predicted)
• Punto di fusione (°C): 165-167° C
• Peso molecolare: 281.300 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 281.12 Da
• Monoisotopic Mass: 281.12 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 400.000
• 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

Domande frequenti

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 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 6304-33-2, the molecular formula is C21H15N, and the molecular weight is 281.35 g/mol. InChIKey OPACMJHTQWVSKW-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.