Tributylmethylammonium chloride - 75 wt. % in H2O , CAS No.56375-79-2

CAS: 56375-79-2 Cat. No.: T102692 Molecular Weight: 235.84 Beilstein Registry Number: 6300212 EC Number: 260-135-8 PubChem CID: 91822

GRADE & PURITY 75 wt. % in H2O

Synonyms

E80848 | epsilon-Thiocaprolactam | Methyltri-n-butylammonium chloride, Aliquat? 175 | ICI 33828 | UNII-AZ0B34ME3U | NCGC00255710-01 | 1-Butanaminium, N,N-dibutyl-N-methyl-, chloride | (2-Hydroxy-phenyl)-thiourea | EINECS 260-135-8 | DTXSID5044443 | SCHEMB

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

E80848 | epsilon-Thiocaprolactam | Methyltri-n-butylammonium chloride, Aliquat? 175 | ICI 33828 | UNII-AZ0B34ME3U | NCGC00255710-01 | 1-Butanaminium, N, N-dibutyl-N-methyl-, chloride | (2-Hydroxy-phenyl)-thiourea | EINECS 260-135-8 | DTXSID5044443 | SCHEMB

Specifications & Purity

75 wt. % in H2O

Storage

Desiccated, Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 504756093
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756093
• Canonical Smiles: CCCC[N+](C)(CCCC)CCCC.[Cl-]
• IUPAC Name: tributyl(methyl)azanium;chloride
• InChIKey: IPILPUZVTYHGIL-UHFFFAOYSA-M
• INCHI: 1S/C13H30N.ClH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1
• Isomeric SMILES: CCCC[N+](C)(CCCC)CCCC.[Cl-]
• WGK Germany: 3
• PubChem CID: 91822
• Molecular Weight: 235.84
• Beilstein: 6300212
• Reaxy-Rn: 6300212

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.
• Molecular Weight: 235.840 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 235.207 Da
• Monoisotopic Mass: 235.207 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 98.600
• 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

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