Tetraamylammonium Chloride - ≥98% , CAS No.4965-17-7

CAS: 4965-17-7 Cat. No.: T162048 Molecular Weight: 334.03 Beilstein Registry Number: 3573670 EC Number: 225-606-4 PubChem CID: 78667

GRADE & PURITY ≥98%

Synonyms

1-Pentanaminium,N,N-tripentyl-, chloride | 1-Pentanaminium, N,N,N-tripentyl-, chloride | tetra-n-pentylammonium chloride | NSC97369 | NSC-97369 | UNII-9FK64TS6PY | N,N,N-Tripentyl-1-pentanaminium chloride | EINECS 225-606-4 | Tetrapentylammonium chloride

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

1-Pentanaminium, N, N-tripentyl-, chloride | 1-Pentanaminium, N, N, N-tripentyl-, chloride | tetra-n-pentylammonium chloride | NSC97369 | NSC-97369 | UNII-9FK64TS6PY | N, N, N-Tripentyl-1-pentanaminium chloride | EINECS 225-606-4 | Tetrapentylammonium chloride

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Cl-]
• IUPAC Name: tetrapentylazanium;chloride
• InChIKey: SXAWRMKQZKPHNJ-UHFFFAOYSA-M
• INCHI: 1S/C20H44N.ClH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1
• Isomeric SMILES: CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Cl-]
• WGK Germany: 3
• RTECS: RZ9275000
• PubChem CID: 78667
• Molecular Weight: 334.03
• Beilstein: 3573670
• Reaxy-Rn: 3573674

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylammonium salts
• Alternative Parents: Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.
• 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: Hygroscopic；Moisture sensitive
• Molecular Weight: 334.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 16
• Exact Mass: 333.316 Da
• Monoisotopic Mass: 333.316 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 155.000
• 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

XLogP3

References

1. Zaichao Guo, Fujin Li, Xuanxuan Wu, Zhihao Liang, Muhammad Junaid, Jianjun Xie, Liang Lu, Jinglai Duan, Jie Liu, Huijun Yao.  (2023)  Efficient ion sieving and ion transport properties in sub-nanoporous polyetherimide membranes.  DESALINATION,      [PMID:] [10.1016/j.desal.2023.117192]

2. Yingjie Luo, Junjie Qiu, Qiwei Xu, Jing Wei, Hang Song, Beibei Guo, Xuesong Liu, Yong Chen, Tengfei Xu.  (2025)  An unconventional separation method of α-Terpineol from its isomer 1,8-Cineole via in situ-association formation of deep eutectic solvent and machine learning.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:39862540] [10.1016/j.chroma.2025.465677]