Trimethyl[2,3-(dioleyloxy)propyl]ammonium Chloride - ≥90% , CAS No.104162-48-3

CAS: 104162-48-3 Cat. No.: T162217 Molecular Weight: 670.59

GRADE & PURITY ≥90%

Synonyms

N-[1-(2,3-Dioleyloxy) Propyl]-N,N,N-trimethylammonium Chloride | BP-25706 | SCHEMBL156278 | T1307 | HY-W127644 | N-[1-(2,3-Dioleyloxy)propyl]-N,N,N-trimethylammonium Chloride | LDGWQMRUWMSZIU-LQDDAWAPSA-M | DOTMA, 1,2-di-O-octadecenyl-3-trimethylammonium

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

228,229

Specifications

Synonyms

N-[1-(2, 3-Dioleyloxy) Propyl]-N, N, N-trimethylammonium Chloride | BP-25706 | SCHEMBL156278 | T1307 | HY-W127644 | N-[1-(2, 3-Dioleyloxy)propyl]-N, N, N-trimethylammonium Chloride | LDGWQMRUWMSZIU-LQDDAWAPSA-M | DOTMA, 1, 2-di-O-octadecenyl-3-trimethylammonium

Specifications & Purity

≥90%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥90%

Names and Identifiers

• Pubchem Sid: 504764178
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764178
• Canonical Smiles: CCCCCCCCC=CCCCCCCCCOCC(C[N+](C)(C)C)OCCCCCCCCC=CCCCCCCCC.[Cl-]
• IUPAC Name: 2,3-bis[(Z)-octadec-9-enoxy]propyl-trimethylazanium;chloride
• InChIKey: LDGWQMRUWMSZIU-LQDDAWAPSA-M
• INCHI: 1S/C42H84NO2.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-44-41-42(40-43(3,4)5)45-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h20-23,42H,6-19,24-41H2,1-5H3;1H/q+1;/p-1/b22-20-,23-21-
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCCOCC(C[N+](C)(C)C)OCCCCCCCC/C=C\CCCCCCCC.[Cl-]
• Molecular Weight: 670.59
• Reaxy-Rn: 22877326
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22877326&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: Dialkyl ethers Organic chloride salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylammonium salt - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organooxygen compound - Amine - Organic cation - 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

• Molecular Weight: 670.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 37
• Exact Mass: 669.619 Da
• Monoisotopic Mass: 669.619 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 608.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 2

XLogP3