N-Boc- 2,2′-(etilendioxi)dietilamina - ≥97%(HPLC) , CAS No.153086-78-3

CAS: 153086-78-3 Cat. No.: B122198 Peso molecular: 248.32 Número EC: 865-020-1

GRADE & PURITY ≥97%(HPLC)

Synonyms

tert-butyl 2-(2-(2-aminoethoxy)ethoxy)ethylcarbamate | tert-butyl 2-(2-(2-aminoethoxy)ethoxy)ethyl-carbamate | A906736 | SY029627 | tert-Butyl {2-[2-(2-aminoethoxy)ethoxy]ethyl}carbamate | tert-butyl 2-(2-(2-aminoethoxy)ethoxy)ethylcarbamate;tert-Butyl (2

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Application

227,228,229

Descripción general

Reactivo enlazador para la preparación de una amplia variedad de etiquetas enlazadas, monómeros para polimerización, ionóforos, etc., por ejemplo, reactivos de biotinilación

Specifications

Sinónimos

tert-butyl 2-(2-(2-aminoethoxy)ethoxy)ethylcarbamate | tert-butyl 2-(2-(2-aminoethoxy)ethoxy)ethyl-carbamate | A906736 | SY029627 | tert-Butyl {2-[2-(2-aminoethoxy)ethoxy]ethyl}carbamate | tert-butyl 2-(2-(2-aminoethoxy)ethoxy)ethylcarbamate;tert-Butyl (2

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥97%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488196388
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196388
• Sonrisas canónicas: CC(C)(C)OC(=O)NCCOCCOCCN
• IUPAC Name: tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
• InChIKey: OCUICOFGFQENAS-UHFFFAOYSA-N
• INCHI: 1S/C11H24N2O4/c1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12/h4-9,12H2,1-3H3,(H,13,14)
• Isómeros SMILES: CC(C)(C)OC(=O)NCCOCCOCCN
• WGK Alemania: 3
• Peso molecular: 248.32
• Reaxy-Rn: 6596430
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6596430&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Carbamic acids and derivatives
            • Level7 Carbamate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Carbamic acids and derivatives
• Direct Parent: Carbamate esters
• Alternative Parents: Dialkyl ethers Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbamic acid ester - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids.
• 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 & Moisture sensitive
• Índice de refracción: 1.46
• Punto de inflamación (°C): 175 °C
• Peso molecular: 248.320 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 248.174 Da
• Monoisotopic Mass: 248.174 Da
• Topological Polar Surface Area: 82.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 204.000
• 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

Referencias

1. Qiao Lin, Changsheng Li, Yuhua Wang, Yanqing Zhu, Yueqing Gu.  (2024)  Discovery of Near-Infrared Heptamethine Cyanine Probes for Imaging-Guided Surgery in Solid Tumors.  JOURNAL OF MEDICINAL CHEMISTRY,      [PMID:38560986] [10.1021/acs.jmedchem.4c00010]