4-Cyclopentyl-1H-pyrazole - ≥95% , CAS No.90253-22-8

CAS: 90253-22-8 Cat. No.: C195723 分子式: C₈H₁₂N₂ 分子量: 136.19

GRADE & PURITY ≥95%

Synonyms

FT-0751814 | SCHEMBL5604811 | AKOS015901632 | EN300-1827764 | F17234 | AS-58416 | AMY11939 | DTXSID70524006 | 4-cyclopentyl-1H-Pyrazole | MFCD19105114

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

FT-0751814 | SCHEMBL5604811 | AKOS015901632 | EN300-1827764 | F17234 | AS-58416 | AMY11939 | DTXSID70524006 | 4-cyclopentyl-1H-Pyrazole | MFCD19105114

仕様と純度

≥95%

保管条件

Room temperature

入荷

Normal

純度

≥95%

名前と識別子

• カノニカル・スマイル: C1CCC(C1)C2=CNN=C2
• IUPAC Name: 4-cyclopentyl-1H-pyrazole
• InChIKey: LZCWESDQKOJPRL-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2/c1-2-4-7(3-1)8-5-9-10-6-8/h5-7H,1-4H2,(H,9,10)
• 異性体SMILES: C1CCC(C1)C2=CNN=C2
• 分子量: 136.19
• Reaxy-Rn: 5499982
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5499982&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.
• 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

化学的性質と物理的性質

• 分子量: 136.190 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.1 Da
• Monoisotopic Mass: 136.1 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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

よくある質問

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 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 90253-22-8, the molecular formula is C8H12N2, and the molecular weight is 136.19 g/mol. InChIKey LZCWESDQKOJPRL-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.