Trimethylpropylammonium Bromide - ≥98%(T) , CAS No.2650-50-2

CAS: 2650-50-2 Cat. No.: T162053 Molecular Weight: 182.11 EC Number: 220-172-2 PubChem CID: 75853

GRADE & PURITY ≥98%(T)

Synonyms

1-Propanaminium,N,N-trimethyl-, bromide | T2762 | n,n,n-trimethylpropan-1-aminium bromide | n,n,n-trimethylpropan-1-aminiumbromide | DTXSID80883878 | MFCD20257915 | NSC 97198 | Trimethylpropylammonium bromide | UNII-FWF6WK28J5 | SCHEMBL814241 | 1-Propanam

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

1-Propanaminium, N, N-trimethyl-, bromide | T2762 | n, n, n-trimethylpropan-1-aminium bromide | n, n, n-trimethylpropan-1-aminiumbromide | DTXSID80883878 | MFCD20257915 | NSC 97198 | Trimethylpropylammonium bromide | UNII-FWF6WK28J5 | SCHEMBL814241 | 1-Propanam

Specifications & Purity

≥98%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 504755000
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755000
• Canonical Smiles: CCC[N+](C)(C)C.[Br-]
• IUPAC Name: trimethyl(propyl)azanium;bromide
• InChIKey: FCGQIZKUTMUWDC-UHFFFAOYSA-M
• INCHI: 1S/C6H16N.BrH/c1-5-6-7(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
• Isomeric SMILES: CCC[N+](C)(C)C.[Br-]
• PubChem CID: 75853
• Molecular Weight: 182.11
• Reaxy-Rn: 3912136

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

• Solubility: Soluble in water
• Sensitivity: Moisture sensitive
• Melt Point(°C): 238°C(dec.)(lit.)
• Molecular Weight: 182.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 181.047 Da
• Monoisotopic Mass: 181.047 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 42.600
• 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. Zhaohui Huang, Xiaoli Wang, Peng Du, Chuanqi Feng, Ping Niu, Dongmei Xu, Lumin Wang, Wei Gao, Aixin Song.  (2025)  Tetracoordinated Manganese(II) Halide with Multimode Thermochromic Luminescence for Anticounterfeiting and Encryption.  INORGANIC CHEMISTRY,      [PMID:40445612] [10.1021/acs.inorgchem.5c00833]

2. Pengcheng Li, Zhixu Liu, Yaxuan Liu, Xin Wen, Zijian Li, Wei Zhou, Shouyu Wang, Weifang Liu.  (2025)  Structural and Optical Investigations of Quasi-0D Lead-Free Hybrid Halide Crystals: (C6H16N)2ZnI4 and (C6H16N)2CdI4.  PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS,      [PMID:] [10.1002/pssb.202500389]