N-(2-Oxo-2-phenylethyl)benzamide - ≥95% , CAS No.4190-14-1

CAS: 4190-14-1 Cat. No.: N170262 Summenformel: C₁₅H₁₃NO₂ Molekulargewicht: 239.27 EG-Nummer: 636-993-8

GRADE & PURITY ≥95%

Synonyms

n-(2-oxo-2-phenylethyl)benzamide | N-(2-oxo-2-phenyl-ethyl)-benzamide | Benzamide, N-phenacyl- | A923937 | DTXSID30293463 | MIJZKZQWQXKSPA-UHFFFAOYSA-N | NSC89758 | NSC-89758 | 4DDE4A9NR9 | alpha-benzamidoacetophenone | Benzamide, N-(2-oxo-2-phenylethyl)-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

n-(2-oxo-2-phenylethyl)benzamide | N-(2-oxo-2-phenyl-ethyl)-benzamide | Benzamide, N-phenacyl- | A923937 | DTXSID30293463 | MIJZKZQWQXKSPA-UHFFFAOYSA-N | NSC89758 | NSC-89758 | 4DDE4A9NR9 | alpha-benzamidoacetophenone | Benzamide, N-(2-oxo-2-phenylethyl)-

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

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

IUPAC Name

N-phenacylbenzamide

InChIKey

MIJZKZQWQXKSPA-UHFFFAOYSA-N

INCHI

1S/C15H13NO2/c17-14(12-7-3-1-4-8-12)11-16-15(18)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)

Isomere SMILES

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

Molekulargewicht

239.27

Reaxy-Rn

2114543

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2114543&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Benzamides Benzoyl derivatives Aryl alkyl ketones Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzamide - Benzoic acid or derivatives - Benzoyl - Aryl alkyl ketone - Benzenoid - Monocyclic benzene moiety - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HepG2 (196354 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)

Discover Target: BRCA1

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

Discover Target: NPC1

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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Plasmodium falciparum (966862 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 239.270 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 239.095 Da
• Monoisotopic Mass: 239.095 Da
• Topological Polar Surface Area: 46.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 289.000
• 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 ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4190-14-1, the molecular formula is C15H13NO2, and the molecular weight is 239.27 g/mol. InChIKey MIJZKZQWQXKSPA-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.