5-Amino-1-(tert-butyl)-1H-pyrazol-3-ol - ≥95% , CAS No.359867-35-9

CAS: 359867-35-9 Cat. No.: A588868 Peso molecular: 155.20

GRADE & PURITY ≥95%

Synonyms

5-Amino-1-(tert-butyl)-1,2-dihydro-3H-pyrazol-3-one | 5-amino-1-tert-butyl-1H-pyrazol-3-ol | AS-72036 | 5-Amino-1-(tert-butyl)-1H-pyrazol-3-ol | AKOS026726842 | AKOS010514962 | EN300-83282 | 3-amino-2-tert-butyl-1H-pyrazol-5-one | 5-Amino-1-tert-butyl-1,2

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

5-Amino-1-(tert-butyl)-1, 2-dihydro-3H-pyrazol-3-one | 5-amino-1-tert-butyl-1H-pyrazol-3-ol | AS-72036 | 5-Amino-1-(tert-butyl)-1H-pyrazol-3-ol | AKOS026726842 | AKOS010514962 | EN300-83282 | 3-amino-2-tert-butyl-1H-pyrazol-5-one | 5-Amino-1-tert-butyl-1, 2

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Desiccated

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)N1C(=CC(=O)N1)N
• IUPAC Name: 3-amino-2-tert-butyl-1H-pyrazol-5-one
• InChIKey: BROXQDABYJKKCG-UHFFFAOYSA-N
• INCHI: 1S/C7H13N3O/c1-7(2,3)10-5(8)4-6(11)9-10/h4H,8H2,1-3H3,(H,9,11)
• Isómeros SMILES: CC(C)(C)N1C(=CC(=O)N1)N
• Peso molecular: 155.20
• Reaxy-Rn: 9758452
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9758452&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azolines
      • Subclass Pyrazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azolines
• Subclass: Pyrazolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolones
• Alternative Parents: Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazolinone - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazolones. These are compounds containing a pyrazole ring which bears a ketone.
• 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

• Peso molecular: 155.200 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 155.106 Da
• Monoisotopic Mass: 155.106 Da
• Topological Polar Surface Area: 58.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 214.000
• 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