Nω-Acetylhistamine - ≥98% , CAS No.673-49-4

CAS: 673-49-4 Cat. No.: N340451 Summenformel: C₇H₁₁N₃O Molekulargewicht: 153.18

GRADE & PURITY ≥98%

Synonyms

Acetamide, N-(2-imidazol-4-ylethyl)- (8CI) | Acetylhistamine, N- | XJWPISBUKWZALE-UHFFFAOYSA-N | SCHEMBL12999042 | CHEBI:28483 | N-[2-(1H-imidazol-5-yl)ethyl]acetamide | Acetamide, {N-[2-(1H-imidazol-4-yl)ethyl]-} | N omega -Acetylhistamine | N-[2-(1H-Imi

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

Acetamide, N-(2-imidazol-4-ylethyl)- (8CI) | Acetylhistamine, N- | XJWPISBUKWZALE-UHFFFAOYSA-N | SCHEMBL12999042 | CHEBI:28483 | N-[2-(1H-imidazol-5-yl)ethyl]acetamide | Acetamide, {N-[2-(1H-imidazol-4-yl)ethyl]-} | N omega -Acetylhistamine | N-[2-(1H-Imi

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504754416
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754416
• Kanonisches Lächeln: CC(=O)NCCC1=CN=CN1
• IUPAC Name: N-[2-(1H-imidazol-5-yl)ethyl]acetamide
• InChIKey: XJWPISBUKWZALE-UHFFFAOYSA-N
• INCHI: 1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)
• Isomere SMILES: CC(=O)NCCC1=CN=CN1
• Molekulargewicht: 153.18
• Reaxy-Rn: 778361
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=778361&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Ebene5 Carboxylic acid amides
          • Ebene6 Acetamides
            • Ebene7 N-acetyl-2-arylethylamines

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides - Acetamides
• Direct Parent: N-acetyl-2-arylethylamines
• Alternative Parents: Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acetyl-2-arylethylamine - Azole - Imidazole - Heteroaromatic compound - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-acetyl-2-arylethylamines. These are compounds containing an acetamide group that is N-linked to an arylethylamine.
• External Descriptors: imidazoles - acetamides

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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 147-149°C (lit.)
• Molekulargewicht: 153.180 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 153.09 Da
• Monoisotopic Mass: 153.09 Da
• Topological Polar Surface Area: 57.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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 should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 673-49-4, the molecular formula is C7H11N3O, and the molecular weight is 153.18 g/mol. InChIKey XJWPISBUKWZALE-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.