Tris(3-hydroxypropyltriazolylmethyl)amine（THPTA） - ≥97% , CAS No.760952-88-3

CAS: 760952-88-3 Cat. No.: T405015 Fórmula: C₁₈H₃₀N₁₀O₃ Peso molecular: 434.51 Número CE: 804-365-4 PubChem CID: 85325313

GRADE & PURITY ≥97%

Synonyms

3,3',3''-[4,4',4''-[Nitrilotris(methylene)]tris(1H-1,2,3-triazole-4,1-diyl)]tris(propan-1-ol) | Tris[[1-(3-hydroxypropyl)-1H-1,2,3-triazol-4-yl]methyl]amine | THPTA

Storage

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

Shipped In

Wet ice

Visão geral

​Tris(3-hydroxypropyltriazolylmethyl)amine is a water-soluble copper(I) stabilizing ligand mainly used in copper(I)-catalyzed alkyne-azide cycloaddition (CuAAC) reactions.Effective ligand for copper-catalyzed azide-alkyne cycloadditions (CuAAC).

Specifications

Sinónimos

3,3',3''-[4,4',4''-[Nitrilotris(methylene)]tris(1H-1,2,3-triazole-4,1-diyl)]tris(propan-1-ol) | Tris[[1-(3-hydroxypropyl)-1H-1,2,3-triazol-4-yl]methyl]amine | THPTA

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

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

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 504772455
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772455
• Sorrisos canónicos: C1=C(N=NN1CCCO)CN(CC2=CN(N=N2)CCCO)CC3=CN(N=N3)CCCO
• IUPAC Name: 3-[4-[[bis[[1-(3-hydroxypropyl)triazol-4-yl]methyl]amino]methyl]triazol-1-yl]propan-1-ol
• InChIKey: VAKXPQHQQNOUEZ-UHFFFAOYSA-N
• INCHI: 1S/C18H30N10O3/c29-7-1-4-26-13-16(19-22-26)10-25(11-17-14-27(23-20-17)5-2-8-30)12-18-15-28(24-21-18)6-3-9-31/h13-15,29-31H,1-12H2
• SMILES isoméricas: C1=C(N=NN1CCCO)CN(CC2=CN(N=N2)CCCO)CC3=CN(N=N3)CCCO
• PubChem CID: 85325313
• Peso molecular: 434.51
• Reaxy-Rn: 9815600

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Triazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Alkanolamines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Heteroaromatic compound - 1,2,3-triazole - Azole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Alkanolamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl 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

Propriedades químicas e físicas

• Sensibilidade: Air Sensitive,Heat Sensitive;Light sensitive
• Peso molecular: 434.500 g/mol
• XLogP3: -3.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 15
• Exact Mass: 434.25 Da
• Monoisotopic Mass: 434.25 Da
• Topological Polar Surface Area: 156.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 427.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 760952-88-3, the molecular formula is C18H30N10O3, and the molecular weight is 434.51 g/mol. InChIKey VAKXPQHQQNOUEZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.