1-ethyl-1H-pyrazol-4-amine - ≥97% , CAS No.876343-24-7

CAS: 876343-24-7 Cat. No.: E177860 Formule: C₅H₉N₃ Poids moléculaire: 111.15 Numéro CE: 814-391-8

GRADE & PURITY ≥97%

Synonyms

1-ethyl-1h-pyrazol-4-ylamine | 1H-Pyrazol-4-amine, 1-ethyl- | BP-21178 | A848281 | 1ethyl1hpyrazol4amine hydrocloride | 1-ETHYL-1H-PYRAZOL-4-AMINE HYDROCLORIDE | PB34103 | 1-ethylpyrazol-4-amine | 1-ethyl-4-amino-1H-pyrazole | 4-AMINO-1-ETHYLPYRAZOLE | SY

Storage

Stocker à 2-8°C, chargé d'argon

Shipped In

Glace humide

Specifications

Synonymes

1-ethyl-1h-pyrazol-4-ylamine | 1H-Pyrazol-4-amine, 1-ethyl- | BP-21178 | A848281 | 1ethyl1hpyrazol4amine hydrocloride | 1-ETHYL-1H-PYRAZOL-4-AMINE HYDROCLORIDE | PB34103 | 1-ethylpyrazol-4-amine | 1-ethyl-4-amino-1H-pyrazole | 4-AMINO-1-ETHYLPYRAZOLE | SY

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Stocker à 2-8°C, chargé d'argon

Expédié en

Glace humide

Pureté

≥97%

Noms et identifiants

Pubchem Sid

528754319

Sourires canoniques

CCN1C=C(C=N1)N

IUPAC Name

1-ethylpyrazol-4-amine

InChIKey

HENLKZLWIDJRSC-UHFFFAOYSA-N

INCHI

1S/C5H9N3/c1-2-8-4-5(6)3-7-8/h3-4H,2,6H2,1H3

Isomères SMILES

CCN1C=C(C=N1)N

Poids moléculaire

111.15

Reaxy-Rn

14520681

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14520681&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

Cibles associées (non humaines)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: light sensitive
• Poids moléculaire: 111.150 g/mol
• XLogP3: -0.100
• 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