4-Ethyl trazodone - ≥98% , CAS No.1346599-35-6

CAS: 1346599-35-6 Cat. No.: E1289394 Summenformel: C₂₁H₂₆ClN₅O Molekulargewicht: 399.92 PubChem CID: 71316674

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CCC1=C(C=C(C=C1)N2CCN(CC2)CCCN3C(=O)N4C=CC=CC4=N3)Cl
• IUPAC Name: 2-[3-[4-(3-chloro-4-ethylphenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
• InChIKey: FAKVJGFSBCIPNY-UHFFFAOYSA-N
• INCHI: 1S/C21H26ClN5O/c1-2-17-7-8-18(16-19(17)22)25-14-12-24(13-15-25)9-5-11-27-21(28)26-10-4-3-6-20(26)23-27/h3-4,6-8,10,16H,2,5,9,11-15H2,1H3
• Isomere SMILES: CCC1=C(C=C(C=C1)N2CCN(CC2)CCCN3C(=O)N4C=CC=CC4=N3)Cl
• PubChem CID: 71316674
• Molekulargewicht: 399.92

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Aryl 1,2,4-triazolones Triazolopyridines Aniline and substituted anilines Dialkylarylamines Pyridinones Chlorobenzenes N-alkylpiperazines Aryl chlorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organochlorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Aryl 1,2,4-triazol-3-one - Triazolopyridine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Pyridinone - Halobenzene - Chlorobenzene - N-alkylpiperazine - Pyridine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Triazole - 1,2,4-triazole - Heteroaromatic compound - Azole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 399.900 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 399.183 Da
• Monoisotopic Mass: 399.183 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 655.000
• 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 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 1346599-35-6, the molecular formula is C21H26ClN5O, and the molecular weight is 399.92 g/mol. InChIKey FAKVJGFSBCIPNY-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.