HATU - ≥99% , CAS No.148893-10-1

CAS: 148893-10-1 Cat. No.: H109327 Fórmula: C₁₀H₁₅F₆N₆OP Peso molecular: 380.23 Número CE: 604-662-7 PubChem CID: 9886157

GRADE & PURITY ≥99%

Synonyms

HATU | 2-(7-Aza-1H-Benzotriazole -1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate | MFCD00274639 | 0-(7-Azabenzotriazol-1-yl)-N,N, N',N'-tetramethyluronium hexafluorophosphate | NSC 165796 | SCHEMBL63612 | 0-(7-Azabenzotriazol-1-yl)-N,N,N',N'-tetrame

Storage

Armazenar a 2-8°C, carregado com árgon

Shipped In

Gelo húmido

Visão geral

O HATU é útil como agente de acoplamento de péptidos e como catalisador de acilação selectiva. É também um reagente para reacções que envolvem a formação de ligações amida.

Specifications

Sinónimos

HATU | 2-(7-Aza-1H-Benzotriazole -1-yl)-1,1,3,3-tetramethyluronium hexafluorophosphate | MFCD00274639 | 0-(7-Azabenzotriazol-1-yl)-N,N, N',N'-tetramethyluronium hexafluorophosphate | NSC 165796 | SCHEMBL63612 | 0-(7-Azabenzotriazol-1-yl)-N,N,N',N'-tetrame

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C, carregado com árgon

Enviado em

Gelo húmido

Pureza

≥99%

Nomes e identificadores

• Pubchem Sid: 508811032
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508811032
• Sorrisos canónicos: CN(C)C(=[N+](C)C)ON1C2=C(C=CC=N2)N=N1.F[P-](F)(F)(F)(F)F
• IUPAC Name: [dimethylamino(triazolo[4,5-b]pyridin-3-yloxy)methylidene]-dimethylazanium;hexafluorophosphate
• InChIKey: JNWBBCNCSMBKNE-UHFFFAOYSA-N
• INCHI: 1S/C10H15N6O.F6P/c1-14(2)10(15(3)4)17-16-9-8(12-13-16)6-5-7-11-9;1-7(2,3,4,5)6/h5-7H,1-4H3;/q+1;-1
• SMILES isoméricas: CN(C)C(=[N+](C)C)ON1C2=C(C=CC=N2)N=N1.F[P-](F)(F)(F)(F)F
• WGK Alemanha: 3
• PubChem CID: 9886157
• Peso molecular: 380.23
• Reaxy-Rn: 11805773

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Triazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Triazolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazolopyridines
• Alternative Parents: Pyridines and derivatives Triazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids and derivatives Carboximidamides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triazolopyridine - Pyridine - Azole - 1,2,3-triazole - Heteroaromatic compound - Carboximidic acid derivative - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organic salt - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as triazolopyridines. These are compounds containing a triazole ring fused to a pyridine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

Propriedades químicas e físicas

• Solubilidade: Soluble in Acetone and DMSO
• Sensibilidade: Heat Sensitive，Hygroscopic
• Ponto de fusão (°C): 183-186°C
• Peso molecular: 380.230 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 3
• Exact Mass: 380.095 Da
• Monoisotopic Mass: 380.095 Da
• Topological Polar Surface Area: 59.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 351.000
• 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: 2

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