Tetrabutylammonium nitrate - ≥98% , CAS No.1941-27-1

CAS: 1941-27-1 Cat. No.: T102281 Molecular Weight: 304.47 Beilstein Registry Number: 3921016 EC Number: 217-726-0 PubChem CID: 16027

GRADE & PURITY ≥98%

Synonyms

DTXSID8062076 | tetrabutyl ammonium nitrate | bis(tetrabutylammonium)mononitrate | NSC 221165 | AMY22486 | 1-Butanaminium, N,N,N-tributyl-, nitrate | EN300-658503 | dihydroxy(oxo)azanium;tetrabutylazanium | tetrabutylazanium;nitrate | A925177 | N-N-N-Trib

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID8062076 | tetrabutyl ammonium nitrate | bis(tetrabutylammonium)mononitrate | NSC 221165 | AMY22486 | 1-Butanaminium, N, N, N-tributyl-, nitrate | EN300-658503 | dihydroxy(oxo)azanium;tetrabutylazanium | tetrabutylazanium;nitrate | A925177 | N-N-N-Trib

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504752727
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752727
• Canonical Smiles: CCCC[N+](CCCC)(CCCC)CCCC.[N+](=O)([O-])[O-]
• IUPAC Name: tetrabutylazanium;nitrate
• InChIKey: QHOKENWFMZXSEU-UHFFFAOYSA-N
• INCHI: 1S/C16H36N.NO3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3)4/h5-16H2,1-4H3;/q+1;-1
• Isomeric SMILES: CCCC[N+](CCCC)(CCCC)CCCC.[N+](=O)([O-])[O-]
• WGK Germany: 3
• RTECS: BS5475000
• PubChem CID: 16027
• UN Number: 1479
• Molecular Weight: 304.47
• Beilstein: 3921016

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organic oxoanionic compounds
      • Subclass Organic nitrates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organic oxoanionic compounds
• Subclass: Organic nitrates
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic nitrates
• Alternative Parents: Tetraalkylammonium salts Organic nitro compounds Organic nitric acids Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic nitrate - Quaternary ammonium salt - Tetraalkylammonium salt - Organic nitric acid - Organic nitric acid or derivatives - Organic nitro compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organopnictogen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic nitrates. These are organic compounds containing the nitrate oxoanion, with the formula NO3-.
• 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

Associated Targets(non-human)

Staphylococcus epidermidis (22802 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in dichloromethane, acetonitrile, benzene and toluene.
• Sensitivity: Moisture sensitive
• Melt Point(°C): 116-118°C
• Molecular Weight: 304.470 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 304.273 Da
• Monoisotopic Mass: 304.273 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 135.000
• 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. Aiqing Feng, Yongmei Jia, Liping Huang, Lin Wang, Guohua Zhou, Sheng Wang, Peilian Liu.  (2019)  1,6-Elimination reaction induced detection of fluoride ions in vitro and in vivo based on a NIR fluorescent probe.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:31146206] [10.1016/j.saa.2019.05.013]

2. Xiu-Mei Song, Hai-Fei Ye, Jiang-Li Song, Yan-Jie Xi, Yancheng Wu.  (2024)  A novel “turn on” fluorescent and colorimetric ICT-based sensor for the detection of fluoride and cyanide ions.  JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,      [PMID:] [10.1016/j.jphotochem.2024.116069]

3. Xingkang Diao, GuoHua Qi, Xinli Li, Yu Tian, Jing Li, Yongdong Jin.  (2025)  Label-Free Exosomal SERS Detection Assisted by Machine Learning for Accurately Discriminating Cell Cycle Stages and Revealing the Molecular Mechanisms during the Mitotic Process.  ANALYTICAL CHEMISTRY,      [PMID:39999424] [10.1021/acs.analchem.4c06240]

4. Jinghan Ren, Jie Wang, Mingqi Guo, Ruonan Li, Yueping Guan.  (2025)  Efficient and selective gold recovery from electronic wastewater by synergistic effect between Fe3O4 nanoparticles and quaternary ammonium salt.  JOURNAL OF ENVIRONMENTAL MANAGEMENT,      [PMID:40373437] [10.1016/j.jenvman.2025.125793]

5. Yi Yuan, Junlin Chen, Limin Cao, Jianxin Sui, Xiudan Wang, Hong Lin, Kaiqiang Wang.  (2025)  Lychee-inspired Au@Ag/Au nanoarray chip with hierarchical enhancement-protection for robust SERS detection of additives in fruits.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2025.139194]