Triisooctylamine - ≥98% , CAS No.25549-16-0

CAS: 25549-16-0 Cat. No.: T113198 Molecular Weight: 353.67 EC Number: 247-092-0 PubChem CID: 75991

GRADE & PURITY ≥98%

Synonyms

MFCD00011694 | 1-Heptanamine,6-methyl-N,N-bis(6-methylheptyl)- | Isooctanamine, N,N-diisooctyl- | Triheptylamine, 6,6',6''-trimethyl- | UNII-R555WMX5UK | SCHEMBL23214 | Triisooctylamine, technical grade | Tris(6-methylheptyl)amine | Q27287809 | E78079 | A

Storage

Room temperature

Shipped In

Normal

Overview

It has been used in: Determination of uranium isotopes in various environmental samples by liquid-liquid extraction and α spectrometry;Extraction of uranium from sulphuric acid leaches of uranium-bearing ores; Extraction of Pd(II), Rh(III), Ir(III), Au(III) and Pt(IV) from hydrochloric and hydrobromic acid.

Specifications

Synonyms

MFCD00011694 | 1-Heptanamine, 6-methyl-N, N-bis(6-methylheptyl)- | Isooctanamine, N, N-diisooctyl- | Triheptylamine, 6, 6', 6''-trimethyl- | UNII-R555WMX5UK | SCHEMBL23214 | Triisooctylamine, technical grade | Tris(6-methylheptyl)amine | Q27287809 | E78079 | A

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

An organo-selenium compound possessing antioxidant properties. Inhibits mammalian lipoxygenases in the absence of thiol groups, and glutathione S-transferase and papain via the interaction with cysteine residues. Also inhibits indoleamine 2, 3-dioxygenase

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488185198
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185198
• Canonical Smiles: CC(C)CCCCCN(CCCCCC(C)C)CCCCCC(C)C
• IUPAC Name: 6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine
• InChIKey: YKGBNAGNNUEZQC-UHFFFAOYSA-N
• INCHI: 1S/C24H51N/c1-22(2)16-10-7-13-19-25(20-14-8-11-17-23(3)4)21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3
• Isomeric SMILES: CC(C)CCCCCN(CCCCCC(C)C)CCCCCC(C)C
• WGK Germany: 2
• RTECS: YF7175000
• PubChem CID: 75991
• UN Number: 3082
• Molecular Weight: 353.67

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Trialkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.
• 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

• Refractive Index: 1.4501
• Molecular Weight: 353.700 g/mol
• XLogP3: 9.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 18
• Exact Mass: 353.402 Da
• Monoisotopic Mass: 353.402 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 214.000
• 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. Huihui Xie, Han Xia, Zihan Qin, Zaichao Dong, Xin Wang, Liang Sun, Yang Liu, Yang Zhang.  (2024)  Role of the side chain configuration on the effective recovery of phenolic compounds using polymer inclusion membranes based on tertiary amine.  REACTIVE & FUNCTIONAL POLYMERS,      [PMID:] [10.1016/j.reactfunctpolym.2024.106030]

2. Shuo Tian, Jing Song, Hongqian Sun, Congcong Zhao, Zhiyu Zhang, Mingming Han, Tao Qi.  (2025)  Selective Extraction of Zirconium from Sulfuric Acid Solutions at High Concentration with Trioctylamine (TOA).  Metals,  15  (5): (468).  [PMID:] [10.3390/met15050468]