Octadecyl Amine Ethoxylate Ether - Total amine value mgKOH/g 75～85 , CAS No.26635-92-7

CAS: 26635-92-7 Cat. No.: O303281 EC Number: 607-973-6

GRADE & PURITY Total amine value mgKOH/g 75～85

Synonyms

26635-92-7|2-[2-[2-(2-hydroxyethoxy)ethyl-octadecylamino]ethoxy]ethanol|Nymeen S-202|SCHEMBL1791354|Octadecyl Amine Ethoxylate Ether|IEXQFYPEUSYMHN-UHFFFAOYSA-N|FT-0696555|Octadecyl amine ethoxylate ether (5,10,15,20, 25,60 EO)

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

26635-92-7 | 2-[2-[2-(2-hydroxyethoxy)ethyl-octadecylamino]ethoxy]ethanol | Nymeen S-202 | SCHEMBL1791354 | Octadecyl Amine Ethoxylate Ether | IEXQFYPEUSYMHN-UHFFFAOYSA-N | FT-0696555 | Octadecyl amine ethoxylate ether (5, 10, 15, 20, 25, 60 EO)

Specifications & Purity

Total amine value mgKOH/g 75～85

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCCCCN(CCOCCO)CCOCCO
• IUPAC Name: 2-[2-[2-(2-hydroxyethoxy)ethyl-octadecylamino]ethoxy]ethanol
• InChIKey: IEXQFYPEUSYMHN-UHFFFAOYSA-N
• INCHI: 1S/C26H55NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(19-23-30-25-21-28)20-24-31-26-22-29/h28-29H,2-26H2,1H3
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCN(CCOCCO)CCOCCO
• Reaxy-Rn: 59176158
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=59176158&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Trialkylamines
• Alternative Parents: Dialkyl ethers Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Ether - Dialkyl ether - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three 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

• Flash Point(°C): 285.8℃
• Boil Point(°C): 549℃at 760 mmHg
• Molecular Weight: 445.700 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 27
• Exact Mass: 445.413 Da
• Monoisotopic Mass: 445.413 Da
• Topological Polar Surface Area: 62.200 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 306.000
• 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