Butyltrimethylammonium Bromide - ≥97% , CAS No.2650-51-3

CAS: 2650-51-3 Cat. No.: B303274 Molecular Weight: 196.13 EC Number: 835-325-4

GRADE & PURITY ≥97%

Synonyms

n-butyl-trimethylammonium bromide | 1-Butanaminium, N,N,N-trimethyl-, bromide | DTXSID40883879 | 1-Butanaminium, N,N,N-trimethyl-, bromide (1:1) | Butyltrimethylammonium bromide | CAA65051 | N-Trimethyl-N-butylammonium bromide | SCHEMBL668896 | BS-43965 |

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyms

n-butyl-trimethylammonium bromide | 1-Butanaminium, N, N, N-trimethyl-, bromide | DTXSID40883879 | 1-Butanaminium, N, N, N-trimethyl-, bromide (1:1) | Butyltrimethylammonium bromide | CAA65051 | N-Trimethyl-N-butylammonium bromide | SCHEMBL668896 | BS-43965 |

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged, Desiccated

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504755001
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755001
• Canonical Smiles: CCCC[N+](C)(C)C.[Br-]
• IUPAC Name: butyl(trimethyl)azanium;bromide
• InChIKey: YGGIZRRNXQJOTI-UHFFFAOYSA-M
• INCHI: 1S/C7H18N.BrH/c1-5-6-7-8(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1
• Isomeric SMILES: CCCC[N+](C)(C)C.[Br-]
• Molecular Weight: 196.13
• Reaxy-Rn: 3912432
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3912432&ln=

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 bromide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic bromide 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: Moisture sensitive
• Melt Point(°C): 196°C(lit.)
• Molecular Weight: 196.130 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 195.062 Da
• Monoisotopic Mass: 195.062 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 51.900
• 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. Yan Gao, Miao Yan, Jianshe Zhao.  (2022)  Metal–organic framework (UIO-66-NH2)-encapsulated peroxophosphotungstate (PW4) loaded on graphene oxide (GO) as catalyst for desulfurization of fuel.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2022.112105]

2. Junjie Tong, Chen Dong, Miaosen Yao, Qichao Wang, Chenlei Shen, Yaxin Yue, Lei Yan, Yueyue Gao, Gentian Yue, Weifeng Zhang, Makhsud I. Saidaminov, Furui Tan.  (2025)  22.1% Carbon-Electrode Perovskite Solar Cells by Spontaneous Passivation and Self-Assembly of Hole-Transport Bilayer.  ACS Nano,      [PMID:40159862] [10.1021/acsnano.4c16916]

3. Yabin Ma, Chao Luo, Changling Zhan, Keli Wang, Jiandong He, Peng Gao, Zhuye Bi, Yingzhuang Ma, Qing Zhao.  (2025)  Crystallization-activated moisture barrier for high-tolerance manufacturing of perovskite solar cells.  Science Advances,  11  (43):   [PMID:41134895] [10.1126/sciadv.ady5703]