Cinnamylideneacetophenone - ≥98% , CAS No.614-57-3

CAS: 614-57-3 Cat. No.: C356244 Fórmula: C₁₇H₁₄O Peso molecular: 234.29 Beilstein Registry Number: 1870052 Número CE: 210-385-9

GRAU & PUREZA ≥98%

Synonyms

Cinnamalacetophenone|5-Phenyl-2,4-pentadienophenone|.alpha.-Cinnamylideneacetophenone|(2E,4E)-1,5-diphenyl-1-penta-2,4-dienone|5-Phenylpenta-2,4-dienophenone|2,4-Pentadienophenone, 5-phenyl-|Cinnamylideneacetophenone|(2E,4E)-1,5-diphenyl-penta-2,4-dien-1-one|(2E,4E)-1,5-diphenylpenta-2,4-dien-1-one|1,5-diphenylpenta-2,4-dien-1-one|2,4-Pentadien-1-one, 1,5-diphenyl-|Cinnamylidenacetophenon

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

Cinnamalacetophenone | 5-Phenyl-2,4-pentadienophenone | .alpha.-Cinnamylideneacetophenone | (2E,4E)-1,5-diphenyl-1-penta-2,4-dienone | 5-Phenylpenta-2,4-dienophenone | 2,4-Pentadienophenone, 5-phenyl- | Cinnamylideneacetophenone | (2E,4E)-1,5-diphenyl-penta-2,4-dien-1-one | (2E,4E)-1,5-diphenylpenta-2,4-dien-1-one | 1,5-diphenylpenta-2,4- Show more

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488191956

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191956

Sorrisos canónicos

C1=CC=C(C=C1)C=CC=CC(=O)C2=CC=CC=C2

IUPAC Name

(2E,4E)-1,5-diphenylpenta-2,4-dien-1-one

InChIKey

QONKLJMPKWQQFG-HPIZBCMHSA-N

INCHI

1S/C17H14O/c18-17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-14H/b11-7+,14-8+

SMILES isoméricas

C1=CC=C(C=C1)/C=C/C=C/C(=O)C2=CC=CC=C2

RTECS

RZ2477000

Peso molecular

234.29

Beilstein

1870052

Reaxy-Rn

1870052

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1870052&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Styrenes Aryl ketones Enones Acryloyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl ketone - Styrene - Benzoyl - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

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A498 (42825 Activities)

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HT-29 (80576 Activities)

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M14 (47487 Activities)

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PC-3 (62116 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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EKVX (44102 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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HOP-92 (41141 Activities)

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SF-268 (49410 Activities)

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MDA-MB-435 (38290 Activities)

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MDA-MB-231 (73002 Activities)

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SNB-75 (44215 Activities)

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NCI-H226 (44470 Activities)

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NCI-H522 (44358 Activities)

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Alvos associados (não humanos)

Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Candida albicans (78123 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: n20D1.62 (Predicted)
• Ponto de ebulição (°C): ~388.1° C at 760 mmHg (Predicted)
• Ponto de fusão (°C): 100-102° C
• Peso molecular: 234.290 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 234.104 Da
• Monoisotopic Mass: 234.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 302.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

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 614-57-3, the molecular formula is C17H14O, and the molecular weight is 234.29 g/mol. InChIKey QONKLJMPKWQQFG-HPIZBCMHSA-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.