4-(2-Aminoethyl)-5-methyl-1H-pyrazol-3(2H)-one - ≥96% , CAS No.214839-73-3

CAS: 214839-73-3 Cat. No.: A182800 Peso molecular: 141.17

GRADE & PURITY ≥96%

Synonyms

4-(2-Aminoethyl)-5-methyl-1,2-dihydro-3h-pyrazol-3-one | 4-(2-Aminoethyl)-5-methylpyrazol-3(2H)-one

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

4-(2-Aminoethyl)-5-methyl-1, 2-dihydro-3h-pyrazol-3-one | 4-(2-Aminoethyl)-5-methylpyrazol-3(2H)-one

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C(=O)NN1)CCN
• IUPAC Name: 4-(2-aminoethyl)-5-methyl-1,2-dihydropyrazol-3-one
• InChIKey: GTTHJSHNPZUIAV-UHFFFAOYSA-N
• INCHI: 1S/C6H11N3O/c1-4-5(2-3-7)6(10)9-8-4/h2-3,7H2,1H3,(H2,8,9,10)
• Isómeros SMILES: CC1=C(C(=O)NN1)CCN
• Peso molecular: 141.17
• Reaxy-Rn: 10154436
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10154436&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 2-arylethylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: 2-arylethylamines
• Alternative Parents: Aralkylamines Pyrazolones Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-arylethylamine - Aralkylamine - Pyrazolinone - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Primary aliphatic amine - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-arylethylamines. These are primary amines that have the general formula RCCNH2, where R is an organic group.
• 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

Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Peso molecular: 141.170 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 141.09 Da
• Monoisotopic Mass: 141.09 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 185.000
• 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