2-Ethoxyethylamine - ≥98% , CAS No.110-76-9

CAS: 110-76-9 Cat. No.: E156296 Formula: C₄H₁₁NO Molecular Weight: 89.14 Beilstein Registry Number: 4(4)1411 EC Number: 203-801-5

GRADE & PURITY ≥98%

Synonyms

BPGIOCZAQDIBPI-UHFFFAOYSA- | O-Ethylethanolamine | InChI=1/C4H11NO/c1-2-6-4-3-5/h2-5H2,1H3 | Q63392162 | 2-Aminoethyl Ethyl Ether | AKOS000139830 | Ethanamine, 2-ethoxy- | Z271005962 | 2-(ethyloxy)ethanamine | FT-0612213 | Integrase inhibitor, R3{5} | 2-A

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

BPGIOCZAQDIBPI-UHFFFAOYSA- | O-Ethylethanolamine | InChI=1/C4H11NO/c1-2-6-4-3-5/h2-5H2,1H3 | Q63392162 | 2-Aminoethyl Ethyl Ether | AKOS000139830 | Ethanamine, 2-ethoxy- | Z271005962 | 2-(ethyloxy)ethanamine | FT-0612213 | Integrase inhibitor, R3{5} | 2-A

Specifications & Purity

≥98%

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

504754107

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754107

Canonical Smiles

CCOCCN

IUPAC Name

2-ethoxyethanamine

InChIKey

BPGIOCZAQDIBPI-UHFFFAOYSA-N

INCHI

1S/C4H11NO/c1-2-6-4-3-5/h2-5H2,1H3

Isomeric SMILES

CCOCCN

Molecular Weight

89.14

Beilstein

4(4)1411

Reaxy-Rn

1697073

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697073&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

• Solubility: Solubility in water: Completely miscible; Miscible with Ether,Ethanol
• Sensitivity: Air Sensitive
• Refractive Index: 1.41
• Flash Point(°C): 18 °C
• Boil Point(°C): 105°C
• Molecular Weight: 89.140 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 89.0841 Da
• Monoisotopic Mass: 89.0841 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 23.500
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 110-76-9, the molecular formula is C4H11NO, and the molecular weight is 89.14 g/mol. InChIKey BPGIOCZAQDIBPI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.