Diethylene Glycol Bis(3-aminopropyl) Ether - ≥98%(GC)(T) , CAS No.4246-51-9

CAS: 4246-51-9 Cat. No.: D154773 Molecular Weight: 220.31 Beilstein Registry Number: 4(4)1625 EC Number: 224-207-2

GRADE & PURITY ≥98%(GC)(T)

Synonyms

Bis[2-(3-aminopropoxy)ethyl] Ether; 4,7,10-Trioxa-1,13-tridecanediamine

Storage

Room temperature

Shipped In

Normal

Overview

Starting material used in the synthesis of aza-crowns and related compounds.

4,7,10-Trioxa-1,13-tridecanediamine can be used as a surface passivation agent for the synthesis of photoluminescent carbon nanodots for semiconductor applications.

Specifications

Synonyms

Bis[2-(3-aminopropoxy)ethyl] Ether; 4, 7, 10-Trioxa-1, 13-tridecanediamine

Specifications & Purity

≥98%(GC)(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)(T)

Names and Identifiers

• Pubchem Sid: 488182599
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182599
• Canonical Smiles: C(CN)COCCOCCOCCCN
• IUPAC Name: 3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propan-1-amine
• InChIKey: JCEZOHLWDIONSP-UHFFFAOYSA-N
• INCHI: 1S/C10H24N2O3/c11-3-1-5-13-7-9-15-10-8-14-6-2-4-12/h1-12H2
• Isomeric SMILES: C(CN)COCCOCCOCCCN
• RTECS: ID6475000
• Molecular Weight: 220.31
• Beilstein: 4(4)1625
• Reaxy-Rn: 1760709
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1760709&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl ether - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• 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(°F): 330.8℉
• Flash Point(°C): 166°C(lit.)
• Boil Point(°C): 151 °C/2 mmHg
• Molecular Weight: 220.310 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 220.179 Da
• Monoisotopic Mass: 220.179 Da
• Topological Polar Surface Area: 79.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 103.000
• 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

References

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