4-Aminopyrazole - ≥95% , CAS No.28466-26-4

CAS: 28466-26-4 Cat. No.: A135058 分子式: C₃H₅N₃ 分子量: 83.09 EC番号: 625-292-2

GRADE & PURITY ≥95%

Synonyms

AXINVSXSGNSVLV-UHFFFAOYSA-N | 1,2-diazolium-4-aminide | SY006645 | DTXSID90182682 | 4-Aminopyrazole | P2523 | 1-H-pyrazol-4-amine | 1H-Pyrazol-4-amine | 4-NH2-pyrazole | 4-Amino-1H-pyrazole | 1H-Pyrazol-4-amine (9CI) | InChI=1/C3H5N3/c4-3-1-5-6-2-3/h1-2H,

Storage

Room temperature,Argon charged

Shipped In

Normal

概要

Application

4-Aminopyrazole, is a versatile building block for the preparation of pharmaceutical and biologically active compounds. 4-Amino-1H-pyrazole, has also shown to have anticonvulsant activity, and thus can be used in the treatment of epileptic seizures.

Specifications

同義語

AXINVSXSGNSVLV-UHFFFAOYSA-N | 1,2-diazolium-4-aminide | SY006645 | DTXSID90182682 | 4-Aminopyrazole | P2523 | 1-H-pyrazol-4-amine | 1H-Pyrazol-4-amine | 4-NH2-pyrazole | 4-Amino-1H-pyrazole | 1H-Pyrazol-4-amine (9CI) | InChI=1/C3H5N3/c4-3-1-5-6-2-3/h1-2H,

仕様と純度

≥95%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥95%

名前と識別子

パブケム・シド

488185499

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488185499

カノニカル・スマイル

C1=C(C=NN1)N

IUPAC Name

1H-pyrazol-4-amine

InChIKey

AXINVSXSGNSVLV-UHFFFAOYSA-N

INCHI

1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)

異性体SMILES

C1=C(C=NN1)N

WGKドイツ

3

RTECS

UQ4993000

分子量

83.09

Reaxy-Rn

1619

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1619&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 Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - 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

• 感度: Light & Moisture & air sensitive
• 融点（°C）: 77-82°C
• 分子量: 83.090 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 83.0483 Da
• Monoisotopic Mass: 83.0483 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 45.300
• 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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 28466-26-4, the molecular formula is C3H5N3, and the molecular weight is 83.09 g/mol. InChIKey AXINVSXSGNSVLV-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.