12-amino-4,7,10-trioxadodecanoato de terc-butilo - ≥98% , CAS No.252881-74-6

CAS: 252881-74-6 Cat. No.: T122160 Peso molecular: 277.36 Número EC: 627-912-7

GRADE & PURITY ≥98%

Synonyms

Amino- PEG3-t-butyl ester | tert-Butyl 12-amino-4,7,10-trioxadodecanoate, technical, >=80% (T) | 12-Amino-4,7,10-trioxadodecanoic acid tert-butyl ester | A903087 | AKOS027320427 | tert-butyl 3-(2-(2-(2-aminoethoxyl)ethoxy)ethoxy)propanoate | TERT-BUTYL 3-

Storage

Almacenar a -20°C,cargado con argón

Shipped In

Hielera + almohadillas de hielo

Application

227,228,229

Descripción general

Intermedio en la síntesis de un espaciador para química combinatoria

Specifications

Sinónimos

Amino- PEG3-t-butyl ester | tert-Butyl 12-amino-4, 7, 10-trioxadodecanoate, technical, >=80% (T) | 12-Amino-4, 7, 10-trioxadodecanoic acid tert-butyl ester | A903087 | AKOS027320427 | tert-butyl 3-(2-(2-(2-aminoethoxyl)ethoxy)ethoxy)propanoate | TERT-BUTYL 3-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Almacenar a -20°C, cargado con argón

Enviado en

Hielera + almohadillas de hielo

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)CCOCCOCCOCCN
• IUPAC Name: tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate
• InChIKey: CWFSAZJIJBTKRC-UHFFFAOYSA-N
• INCHI: 1S/C13H27NO5/c1-13(2,3)19-12(15)4-6-16-8-10-18-11-9-17-7-5-14/h4-11,14H2,1-3H3
• Isómeros SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCN
• WGK Alemania: 3
• Peso molecular: 277.36
• Reaxy-Rn: 14611023
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14611023&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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 Organopnictogen compounds 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 - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Peso molecular: 277.360 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 277.189 Da
• Monoisotopic Mass: 277.189 Da
• Topological Polar Surface Area: 80.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 228.000
• 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