1-ethyl-1H-pyrazol-5-amine - ≥99% , CAS No.3528-58-3

CAS: 3528-58-3 Cat. No.: E133315 Summenformel: C₅H₉N₃ Molekulargewicht: 111.15 EG-Nummer: 609-110-9

GRADE & PURITY ≥99%

Synonyms

Pyrazole, 5-amino-1-ethyl- | C5H9N3 | PB15601 | NSC 354694 | 1-Ethyl-1H-pyrazol-5-amine | 5-Amino-1-ethyl-1H-pyrazole | BBL040281 | 1H-Pyrazol-5-amine, 1-ethyl- | AS-19802 | 1-Ethyl-1H-pyrazol-5-amine # | 1-Ethyl-5-aminopyrazole | 5-Amino-1-ethylpyrazole,

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

5-Amino-1-ethylpyrazole is a heterocyclic building block, has been used in the preparation of 1-protected-1H-pyrazolo[3,4-b]pyridines。

Specifications

Synonyme

Pyrazole, 5-amino-1-ethyl- | C5H9N3 | PB15601 | NSC 354694 | 1-Ethyl-1H-pyrazol-5-amine | 5-Amino-1-ethyl-1H-pyrazole | BBL040281 | 1H-Pyrazol-5-amine, 1-ethyl- | AS-19802 | 1-Ethyl-1H-pyrazol-5-amine # | 1-Ethyl-5-aminopyrazole | 5-Amino-1-ethylpyrazole,

Spezifikationen & Reinheit

≥99%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

• Pubchem Sid: 504758512
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758512
• Kanonisches Lächeln: CCN1C(=CC=N1)N
• IUPAC Name: 2-ethylpyrazol-3-amine
• InChIKey: FSJOLBAFVKSQQJ-UHFFFAOYSA-N
• INCHI: 1S/C5H9N3/c1-2-8-5(6)3-4-7-8/h3-4H,2,6H2,1H3
• Isomere SMILES: CCN1C(=CC=N1)N
• WGK Deutschland: 3
• Molekulargewicht: 111.15
• Reaxy-Rn: 606673
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606673&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 Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Pyrazole - Azacycle - Organic nitrogen 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic
• Siedepunkt (°C): 92-94 °C/0.01 mmHg
• Schmelzpunkt (°C): 52-57°C
• Molekulargewicht: 111.150 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 111.08 Da
• Monoisotopic Mass: 111.08 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.100
• 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