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

CAS: 3528-58-3 Cat. No.: E133315 Formule: C₅H₉N₃ Poids moléculaire: 111.15 Numéro CE: 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

Température ambiante, charge d'argon

Shipped In

Normal

Vue d’ensemble

le 5-Amino-1-éthylpyrazole est un élément de construction hétérocyclique, qui a été utilisé dans la préparation de 1-protégé-1H-pyrazolo[3,4-b]pyridines。

Specifications

Synonymes

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,

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Température ambiante, charge d'argon

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

Pubchem Sid

504758512

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

CCN1C(=CC=N1)N

WGK Allemagne

3

Poids moléculaire

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
    • 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 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
• 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: Hygroscopic
• Point d'ébullition (°C): 92-94 °C/0.01 mmHg
• Point de fusion (°C): 52-57°C
• Poids moléculaire: 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