3-(tert-Butyl)-1-phenyl-1H-pyrazol-5-amine - ≥98% , CAS No.126208-61-5

CAS: 126208-61-5 Cat. No.: T586855 Peso molecular: 215.3 Número EC: 674-883-1 PubChem CID: 770634

GRADE & PURITY ≥98%

Synonyms

Z56917894 | Enamine_005580 | 5-tert-Butyl-2-phenyl-2H-pyrazol-3-ylamine | AR2237 | 5-Amino-3-(tert-butyl)-1-phenylpyrazole | A805530 | BENZOICACID-CARBOXY-14C | 5-amino-3-t-butyl-1-phenyl-pyrazole | DTXSID00354373 | 3-(tert-Butyl)-1-phenyl-1H-pyrazol-5-am

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Z56917894 | Enamine_005580 | 5-tert-Butyl-2-phenyl-2H-pyrazol-3-ylamine | AR2237 | 5-Amino-3-(tert-butyl)-1-phenylpyrazole | A805530 | BENZOICACID-CARBOXY-14C | 5-amino-3-t-butyl-1-phenyl-pyrazole | DTXSID00354373 | 3-(tert-Butyl)-1-phenyl-1H-pyrazol-5-am

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504760124
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760124
• Sonrisas canónicas: CC(C)(C)C1=NN(C(=C1)N)C2=CC=CC=C2
• IUPAC Name: 5-tert-butyl-2-phenylpyrazol-3-amine
• InChIKey: GFWSTBBSSBVVQP-UHFFFAOYSA-N
• INCHI: 1S/C13H17N3/c1-13(2,3)11-9-12(14)16(15-11)10-7-5-4-6-8-10/h4-9H,14H2,1-3H3
• Isómeros SMILES: CC(C)(C)C1=NN(C(=C1)N)C2=CC=CC=C2
• PubChem CID: 770634
• Peso molecular: 215.3

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: Phenylpyrazoles
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl 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

Propiedades químicas y físicas

• Punto de ebullición (°C): ~356.3°C（760mmHg）
• Punto de fusión (°C): 59-61℃
• Peso molecular: 215.290 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.142 Da
• Monoisotopic Mass: 215.142 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 228.000
• 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