3-Aminopyrazole - ≥98% , CAS No.1820-80-0

CAS: 1820-80-0 Cat. No.: A105614 Summenformel: C₃H₅N₃ Molekulargewicht: 83.09 Beilstein Registry Number: 1618 EG-Nummer: 217-338-1

GRADE & PURITY ≥98%

Synonyms

3-AP | 3-Aminopyrazole | 3-amino-pyrazole | 4,4'-DDOH | 6-Amc | PS-9370 | DTXSID00171229 | EN300-27598 | F0001-0657 | STK292780 | 3-Aminopyrazole, 98% | PS-9369 | FT-0600489 | 1H-Pyrazol-3-amine | BCP27171 | 2H-pyrazol-3-ylamine | AKOS002657057 | Hippuric

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

Product Description：
3-Aminopyrazole is a heteroarylamine. Product Application：
3-Aminopyrazole was used in the spectroscopic characterization of ferrocenoyl peptides via 1H-NMR spectroscopy. It was also used in the synthesis of: symmetrical dialkylpyrazolo[1,5-a]pyrimidines via condensation with symmetrical β-diketones 3,4-annelated coumarins heterocyclic compounds of pharmaceutical interest pyrazolopyrimidines

Specifications

Synonyme

3-AP | 3-Aminopyrazole | 3-amino-pyrazole | 4,4'-DDOH | 6-Amc | PS-9370 | DTXSID00171229 | EN300-27598 | F0001-0657 | STK292780 | 3-Aminopyrazole, 98% | PS-9369 | FT-0600489 | 1H-Pyrazol-3-amine | BCP27171 | 2H-pyrazol-3-ylamine | AKOS002657057 | Hippuric

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488184943
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184943
• Kanonisches Lächeln: C1=C(NN=C1)N
• IUPAC Name: 1H-pyrazol-5-amine
• InChIKey: JVVRJMXHNUAPHW-UHFFFAOYSA-N
• INCHI: 1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)
• Isomere SMILES: C1=C(NN=C1)N
• WGK Deutschland: 3
• UN-Nummer: 3263
• Molekulargewicht: 83.09
• Beilstein: 1618
• Reaxy-Rn: 605752
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605752&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in methanol
• Empfindlichkeit: heat sensitive,light sensitive,air sensitive
• Gefrierpunkt (°C): 35 °C
• Flammpunkt (°F): >230 °F
• Flammpunkt (°C): >110 °C
• Siedepunkt (°C): 218°C
• Schmelzpunkt (°C): 33-39°C
• Molekulargewicht: 83.090 g/mol
• XLogP3: -0.100
• 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

Referenzen

1. Pei Chen, Hui Zhu, Tianhao Na, Yong Yi, Jian Zhou, Tao Duan, Jiehong Lei.  (2023)  Pyrazole-directed functionalization of activated collagen fiber for highly specific capture of iodine vapor.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2023.158917]

2. Pei Chen, Hui Zhu, Tianhao Na, Yong Yi, Jian Zhou, Tao Duan, Jiehong Lei.  (2023)  Functionalized collagen fiber with specific recognition sites for highly efficient iodine capture: theoretical calculations and experimental verification.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.146660]

3. Xiaoyun Zhang, Yinhang Zhang, Yuxin Su, Xiaoyang Wang, Renqing Lv.  (2022)  Synthesis and Corrosion Inhibition Performance of Mannich Bases on Mild Steel in Lactic Acid Media.  ACS Omega,      [PMID:36120014] [10.1021/acsomega.2c03545]

4. Xiao-San Li, Mao-Xun Yang, Yu-Hao Luo, He-Hui Zhan, Mei-Fang Chen, Yong-Mei Huang, Li Liu, Xue-Mei Yang.  (2022)  Design, Synthesis and Anticancer Activity of Novel Steroidal Derivatives with D-Ring Fused or Substituted N-Heterocyclic Systems.  CHEMISTRY & BIODIVERSITY,  19  (10): (e202200648).  [PMID:36043381] [10.1002/cbdv.202200648]

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 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. 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 1820-80-0, the molecular formula is C3H5N3, and the molecular weight is 83.09 g/mol. InChIKey JVVRJMXHNUAPHW-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.