HATU - ≥99% , CAS No.148893-10-1

CAS: 148893-10-1 Cat. No.: H109327 Formula: C₁₀H₁₅F₆N₆OP Molecular Weight: 380.23 EC Number: 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

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

HATU is useful as a peptide coupling agent and a catalyst for selective acylation. It is also a reagent for reactions involving amide bond formations.

Specifications

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

Specifications & Purity

≥99%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

Pubchem Sid

508811032

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811032

Canonical Smiles

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

Isomeric SMILES

CN(C)C(=[N+](C)C)ON1C2=C(C=CC=N2)N=N1.F[P-](F)(F)(F)(F)F

WGK Germany

3

PubChem CID

9886157

Molecular Weight

380.23

Reaxy-Rn

11805773

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in Acetone and DMSO
• Sensitivity: Heat Sensitive，Hygroscopic
• Melt Point(°C): 183-186°C
• Molecular Weight: 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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