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

CAS: 760952-88-3 Cat. No.: T405015 Molecular Weight: 434.51 EC Number: 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

Overview

​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

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

Specifications & Purity

≥97%

Storage

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

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504772455
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772455
• Canonical Smiles: 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
• Isomeric SMILES: C1=C(N=NN1CCCO)CN(CC2=CN(N=N2)CCCO)CC3=CN(N=N3)CCCO
• PubChem CID: 85325313
• Molecular Weight: 434.51
• Reaxy-Rn: 9815600

Taxonomic Classification

Taxonomy Tree

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

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

Chemical and Physical Properties

• Sensitivity: Air Sensitive,Heat Sensitive;Light sensitive
• Molecular Weight: 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

References

1. Ren Xijiao, Cheng Zhuo, He Jinming, Yao Xuemei, Liu Yingqi, Cai Kaiyong, Li Menghuan, Hu Yan, Luo Zhong.  (2023)  Inhibition of glycolysis-driven immunosuppression with a nano-assembly enhances response to immune checkpoint blockade therapy in triple negative breast cancer.  Nature Communications,  14  (1): (1-22).  [PMID:37919262] [10.1038/s41467-023-42883-2]

2. Nian Huang, Yingfeng Qin, Ming Li, Tianxing Chen, Meijie Lu, Jingjin Zhao.  (2019)  A sensitive fluorescence assay of organophosphorus pesticides using acetylcholinesterase and copper-catalyzed click chemistry.  ANALYST,  144  (10): (3436-3441).  [PMID:31020297] [10.1039/C9AN00260J]

3. Xuan Luo, Susu Cui, Weiwei Yang, Yongsheng Yu.  (2025)  An electrochemical quinine detection approach based on small molecule promoted split aptamer click ligation reaction.  TALANTA,      [PMID:40081247] [10.1016/j.talanta.2025.127916]

4. Huan Du, Fengrong Lv, Renye Yue, Yuzhen Yu, Xinyu Xu, Zhe Li, Baode Chen, Cheng Zhang, Yu Peng, Wei Cheng, Sulai Liu, Xiaobing Zhang, Guosheng Song.  (2025)  An Integrated Afterglow and MRI Probe for In Vivo Imaging of ATP in Tumor Metabolism.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202520102]

5. Huihong Yan, Xuan Luo, Chenglong Bao, Yongsheng Yu, Weiwei Yang.  (2025)  Highly sensitive and visual dual-mode quinine sensor based on small molecule-templated split aptamer click ligation reaction.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2025.139211]