allyltrimethylammonium chloride - ≥98% , CAS No.1516-27-4

CAS: 1516-27-4 Cat. No.: A191081 Molecular Weight: 135.63 EC Number: 216-164-3

GRADE & PURITY ≥98%

Synonyms

HSDB 5834 | JC10065 | 2-Propen-1-aminium, N,N,N-trimethyl-, chloride (1:1) | A809199 | Q27290048 | 2-Propen-1-aminium,N,N-trimethyl-, chloride | FT-0654219 | LS-13207 | EINECS 216-164-3 | HOMONEURINE CHLORIDE [HSDB] | Homoneurine chloride | AKOS006230270

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

HSDB 5834 | JC10065 | 2-Propen-1-aminium, N, N, N-trimethyl-, chloride (1:1) | A809199 | Q27290048 | 2-Propen-1-aminium, N, N-trimethyl-, chloride | FT-0654219 | LS-13207 | EINECS 216-164-3 | HOMONEURINE CHLORIDE [HSDB] | Homoneurine chloride | AKOS006230270

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504752642
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752642
• Canonical Smiles: C[N+](C)(C)CC=C.[Cl-]
• IUPAC Name: trimethyl(prop-2-enyl)azanium;chloride
• InChIKey: TZYULTYGSBAILI-UHFFFAOYSA-M
• INCHI: 1S/C6H14N.ClH/c1-5-6-7(2,3)4;/h5H,1,6H2,2-4H3;1H/q+1;/p-1
• Isomeric SMILES: C[N+](C)(C)CC=C.[Cl-]
• Molecular Weight: 135.63
• Reaxy-Rn: 3914086
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3914086&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 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;heat sensitive
• Molecular Weight: 135.630 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.081 Da
• Monoisotopic Mass: 135.081 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 59.100
• 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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