3-Ethoxypropylamine - Ultra pure, ≥99% , CAS No.6291-85-6

CAS: 6291-85-6 Cat. No.: E598945 Molecular Weight: 103.17 Beilstein Registry Number: 1732290 EC Number: 228-545-1

GRADE & PURITY Ultra pure, ≥99%

Synonyms

3-Ethoxypropylamine|6291-85-6|3-Ethoxy-1-propanamine|3-ethoxypropan-1-amine|1-Propanamine, 3-ethoxy-|3-Ethoxy-1-propylamine|PROPYLAMINE, 3-ETHOXY-|Propanolamine ethyl ether|6N532BD0B2|NSC-8162|MFCD00008221|[3-(ethyloxy)propyl]amine|(3-(ETHYLOXY)PROPYL)AMI

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Overview

It was used to partially open the rigid oxetane chain, during the synthesis of oxetane-based oligomers, to generate some specific properties.

Specifications

Synonyms

3-Ethoxypropylamine | 6291-85-6 | 3-Ethoxy-1-propanamine | 3-ethoxypropan-1-amine | 1-Propanamine, 3-ethoxy- | 3-Ethoxy-1-propylamine | PROPYLAMINE, 3-ETHOXY- | Propanolamine ethyl ether | 6N532BD0B2 | NSC-8162 | MFCD00008221 | [3-(ethyloxy)propyl]amine | (3-(ETHYLOXY)PROPYL)AMI

Specifications & Purity

Ultra pure, ≥99%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Grade

Ultra pure

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CCOCCCN
• IUPAC Name: 3-ethoxypropan-1-amine
• InChIKey: SOYBEXQHNURCGE-UHFFFAOYSA-N
• INCHI: 1S/C5H13NO/c1-2-7-5-3-4-6/h2-6H2,1H3
• Isomeric SMILES: CCOCCCN
• WGK Germany: 1
• RTECS: UI2700000
• UN Number: 2734
• Packing Group: II
• Molecular Weight: 103.17
• Beilstein: 1732290
• Reaxy-Rn: 1732287
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732287&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; Soluble in Ether,Alcohol
• Sensitivity: Air Sensitive
• Refractive Index: 1.418
• Flash Point(°F): 91.4 °F
• Flash Point(°C): 33 °C
• Boil Point(°C): 136-138 °C
• Molecular Weight: 103.160 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 103.1 Da
• Monoisotopic Mass: 103.1 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 31.300
• 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

1. Guangyan Zhang, Chenhui Bao, Hui Yi.  (2021)  Investigation of the temperature responsive behaviors of novel polyaspartamide derivatives bearing alkyl ether-type pendants.  Arabian Journal of Chemistry,      [PMID:] [10.1016/j.arabjc.2021.103287]