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

CAS: 28466-26-4 Cat. No.: A135058 Formule: C₃H₅N₃ Poids moléculaire: 83.09 Numéro CE: 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

Argon charged,Room temperature

Shipped In

Normal

Vue d’ensemble

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

Synonymes

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,

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 488185499
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185499
• Sourires canoniques: 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)
• Isomères SMILES: C1=C(C=NN1)N
• WGK Allemagne: 3
• RTECS: UQ4993000
• Poids moléculaire: 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
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light & Moisture & air sensitive
• Point de fusion (°C): 77-82°C
• Poids moléculaire: 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

Références

1. Yuxin Xie, Chenghao Yao, Lei Li, Zhan Lin.  (2023)  Two viologen-functionalized pyrazolide-based metal–organic frameworks for efficient CO2 photoreduction reaction.  Journal of Materials Chemistry A,  11  (8): (4261-4271).  [PMID:] [10.1039/D2TA09799K]

Foire aux questions

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.