β-Phenylpropiophenone - ≥98% , CAS No.1083-30-3

CAS: 1083-30-3 Cat. No.: P165836 Summenformel: C₁₅H₁₄O Molekulargewicht: 210.28 EG-Nummer: 621-467-2 PubChem CID: 64802

GRADE & PURITY ≥98%

Synonyms

1,3 diphenylpropan-1-one | LMPK12120464 | NSC12245 | NSC-12245 | Phenethyl phenyl ketone | 1-Propanone,1,3-diphenyl- | DTXSID7061481 | 3-Phenyl propiophenone | SR-01000390066 | AKOS001586597 | SCHEMBL30572 | Propiophenone, 3-phenyl- | BENZYL ACETOPHENONE

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

1,3 diphenylpropan-1-one | LMPK12120464 | NSC12245 | NSC-12245 | Phenethyl phenyl ketone | 1-Propanone,1,3-diphenyl- | DTXSID7061481 | 3-Phenyl propiophenone | SR-01000390066 | AKOS001586597 | SCHEMBL30572 | Propiophenone, 3-phenyl- | BENZYL ACETOPHENONE

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488183640
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183640
• Kanonisches Lächeln: C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2
• IUPAC Name: 1,3-diphenylpropan-1-one
• InChIKey: QGGZBXOADPVUPN-UHFFFAOYSA-N
• INCHI: 1S/C15H14O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
• Isomere SMILES: C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2
• PubChem CID: 64802
• Molekulargewicht: 210.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Linear 1,3-diarylpropanoids
      • Subclass Chalcones and dihydrochalcones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Linear 1,3-diarylpropanoids
• Subclass: Chalcones and dihydrochalcones
• Intermediate Tree Nodes: Not available
• Direct Parent: Retro-dihydrochalcones
• Alternative Parents: Alkyl-phenylketones Butyrophenones Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
• External Descriptors: Chalcones and dihydrochalcones

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

Zugehörige Ziele (menschlich)

DLD-1 (17511 Activities)

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HT-29 (80576 Activities)

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FHC (113 Activities)

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Zugehörige Ziele (nicht menschlich)

Agtr1 Type-1A angiotensin II receptor (520 Activities)

Discover Target: Agtr1

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Toluene
• Siedepunkt (°C): 360 °C
• Schmelzpunkt (°C): 72 °C
• Molekulargewicht: 210.270 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 210.104 Da
• Monoisotopic Mass: 210.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 209.000
• 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

Häufig gestellte Fragen

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 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 1083-30-3, the molecular formula is C15H14O, and the molecular weight is 210.28 g/mol. InChIKey QGGZBXOADPVUPN-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.