3-[2-(2-Aminoethoxy)ethoxy]propanoic acid 1,1-dimethylethyl ester - ≥98% , CAS No.756525-95-8

CAS: 756525-95-8 Cat. No.: H122159 Molecular Weight: 233.31 EC Number: 846-587-4

GRADE & PURITY ≥98%

Synonyms

tert-Butyl9-Amino-4,7-dioxanonanoate | tert-Butyl 3-(2-(2-aminoethoxy)ethoxy)propanoate | ZB0977 | 9-Amino-4,7-dioxanonanoic acid tert-butyl ester | H2N-PEG2-tBu | SY122493 | H10171 | 4-05-00-01542 (Beilstein Handbook Reference) | H2N-PEG2-CO-OtBu | Amino

Storage

Argon charged,Room temperature

Shipped In

Normal

Application

227,228,229

Specifications

Synonyms

tert-Butyl9-Amino-4, 7-dioxanonanoate | tert-Butyl 3-(2-(2-aminoethoxy)ethoxy)propanoate | ZB0977 | 9-Amino-4, 7-dioxanonanoic acid tert-butyl ester | H2N-PEG2-tBu | SY122493 | H10171 | 4-05-00-01542 (Beilstein Handbook Reference) | H2N-PEG2-CO-OtBu | Amino

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504771033
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771033
• Canonical Smiles: CC(C)(C)OC(=O)CCOCCOCCN
• IUPAC Name: tert-butyl 3-[2-(2-aminoethoxy)ethoxy]propanoate
• InChIKey: XIVHGTLMLORWEP-UHFFFAOYSA-N
• INCHI: 1S/C11H23NO4/c1-11(2,3)16-10(13)4-6-14-8-9-15-7-5-12/h4-9,12H2,1-3H3
• Isomeric SMILES: CC(C)(C)OC(=O)CCOCCOCCN
• Molecular Weight: 233.31
• Reaxy-Rn: 22650935
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22650935&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Amino acids and derivatives Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Amino acid or derivatives - Carboxylic acid ester - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Amine - Organic oxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• 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: Air sensitive
• Molecular Weight: 233.300 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 233.163 Da
• Monoisotopic Mass: 233.163 Da
• Topological Polar Surface Area: 70.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 189.000
• 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