Benzyltributylammonium chloride(BTBAC) - ≥98% , CAS No.23616-79-7

CAS: 23616-79-7 Cat. No.: B102662 Molecular Weight: 311.93 Beilstein Registry Number: 3776210 EC Number: 245-787-3

GRADE & PURITY ≥98%

Synonyms

benzyl(tributyl)ammonium chloride | TRIBUTYLBENZYLAMMONIUM CHLORIDE | [C1MIm]SbF6 | N-Benzyl-N,N-dibutylbutan-1-aminiumchloride | benzyl tributylammonium chloride | Benzyltributylammonium chloride | benzyl-tributylammonium chloride | FT-0609279 | MFCD0001

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

benzyl(tributyl)ammonium chloride | TRIBUTYLBENZYLAMMONIUM CHLORIDE | [C1MIm]SbF6 | N-Benzyl-N, N-dibutylbutan-1-aminiumchloride | benzyl tributylammonium chloride | Benzyltributylammonium chloride | benzyl-tributylammonium chloride | FT-0609279 | MFCD0001

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488188309
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188309
• Canonical Smiles: CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.[Cl-]
• IUPAC Name: benzyl(tributyl)azanium;chloride
• InChIKey: VJGNLOIQCWLBJR-UHFFFAOYSA-M
• INCHI: 1S/C19H34N.ClH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1
• Isomeric SMILES: CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.[Cl-]
• WGK Germany: 3
• UN Number: 3263
• Molecular Weight: 311.93
• Beilstein: 3776210
• Reaxy-Rn: 3776210
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3776210&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Tetraalkylammonium salts Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Tetraalkylammonium salt - Quaternary ammonium salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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: Solubility in Water almost transparency
• Sensitivity: Hygroscopic.
• Melt Point(°C): 155-163°C
• Molecular Weight: 311.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 311.238 Da
• Monoisotopic Mass: 311.238 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 196.000
• 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

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