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

CAS: 3528-58-3 Cat. No.: E133315 Fórmula: C₅H₉N₃ Peso molecular: 111.15 Número EC: 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

Descripción general

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

Sinónimos

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,

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

504758512

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758512

Sonrisas canónicas

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

Isómeros SMILES

CCN1C(=CC=N1)N

WGK Alemania

3

Peso molecular

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
    • Clase Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Hygroscopic
• Punto de ebullición (°C): 92-94 °C/0.01 mmHg
• Punto de fusión (°C): 52-57°C
• Peso molecular: 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