Dioctadecylamine - ≥99% , CAS No.112-99-2

CAS: 112-99-2 Cat. No.: D770781 Molecular Weight: 521.99 Beilstein Registry Number: 1801688 EC Number: 204-020-2

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

Dioctadecylamine (DODA), a secondary amine, is a fatty amine derivative. Its biodegradation potential has been assessed. It has been observed that in aqueous medium DODA self organizes into plate like structures. Its partial charge distribution as a function of its conformation has been analyzed.The phase diagram of dioctadecylamine Langmuir monolayers has been determined and investigations show it does not form a monolayer above pH 3.9. DODA has been utilized in forming liposomes, cationic lipids or lipid chelating agents.

Purpose

Dioctadecylamine (DODA) is suitable reagent used in the synthesis of the following:

Dioctadecylamine-BCN (bicyclo[6.1.0]nonyne) conjugate.

Lipid derivatives of bisethylnorspermine (BSP).Functional VP (N-vinylpyrrolidone ) polymers.

It may be used in the following studies:

As a reactant in the synthesis of 4,4′-azobis(4-cyano-N,N-dioctadecyl)pentanamide (DODA-501) by reacting with disuccinimidyl 4,4′-azobis(4-cyanovalerate).

As a reagent in the synthesis of dioctadecyl heptapeptides.

As a phase transfer and stabilizer agent for gold nanoparticles (AuNPs) in non-polar solvent.

Specifications

Specifications & Purity

≥99%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC
• IUPAC Name: N-octadecyloctadecan-1-amine
• InChIKey: HKUFIYBZNQSHQS-UHFFFAOYSA-N
• INCHI: 1S/C36H75N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC
• WGK Germany: 3
• Molecular Weight: 521.99
• Beilstein: 1801688

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Secondary amines
          • Level6 Dialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Secondary amines
• Direct Parent: Dialkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
• 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: light sensitive
• Melt Point(°C): 71-73 °C
• Molecular Weight: 522.000 g/mol
• XLogP3: 17.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 34
• Exact Mass: 521.59 Da
• Monoisotopic Mass: 521.59 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 332.000
• 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: 1