2-[2-(Boc-amino)ethoxy]ethanol - ≥97% , CAS No.139115-91-6

CAS: 139115-91-6 Cat. No.: B167166 분자식: C₉H₁₉NO₄ 분자량: 205.25 EC 번호: 695-517-7

GRADE & PURITY ≥97%

Synonyms

BP-23275 | HY-W004896 | AKOS000799085 | 2-(2-Boc-aminoethoxy)ethanol | Carbamic acid, [2-(2-hydroxyethoxy)ethyl]-, 1,1-dimethylethyl ester | N-Boc-PEG2-alcohol | tert-Butyl(2-(2-hydroxyethoxy)ethyl)carbamate | T-BUTYL 2-(2-HYDROXYETHOXY)ETHYLCARBAMATE | 2

Storage

Room temperature

Shipped In

Normal

Application

Antibody Drug Conjugates(ADC), Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

개요

2-[2-(Boc-amino)ethoxy]ethanol is N-terminal protected 2-(2-aminoethoxy)ethanol. It is generally used as a molecular spacer/linker. Some of such applications are: · Synthesis of biotinylated HaloLigands to prepare quantum dot adducts for HaloTag protein-mediated specific labeling of live cells. · It is one of the key precursors for the total synthesis of tyroscherin and photo-activatable tyroscherin-based affinity reagent used for identification of tyroscherin binding proteins. · It can be used to link HaloTag enzyme with fluorescent zinc indicator, ZIMIR to monitor the dynamics of regulated secretion of zinc in real time. · It can also be used to synthesize amphiphiles for DNA and siRNA delivery.

Specifications

동의어

BP-23275 | HY-W004896 | AKOS000799085 | 2-(2-Boc-aminoethoxy)ethanol | Carbamic acid, [2-(2-hydroxyethoxy)ethyl]-, 1,1-dimethylethyl ester | N-Boc-PEG2-alcohol | tert-Butyl(2-(2-hydroxyethoxy)ethyl)carbamate | T-BUTYL 2-(2-HYDROXYETHOXY)ETHYLCARBAMATE | 2

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

• Pubchem Sid: 504763265
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763265
• 정식 스마일: CC(C)(C)OC(=O)NCCOCCO
• IUPAC Name: tert-butyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
• InChIKey: KSFVNEXYCULLEJ-UHFFFAOYSA-N
• INCHI: 1S/C9H19NO4/c1-9(2,3)14-8(12)10-4-6-13-7-5-11/h11H,4-7H2,1-3H3,(H,10,12)
• 이성체 SMILES: CC(C)(C)OC(=O)NCCOCCO
• WGK 독일: 3
• 분자량: 205.25
• Reaxy-Rn: 5330816
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5330816&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 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
• 분류: 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 Primary alcohols Organonitrogen compounds Organic oxides 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 alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• 설명: 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

화학 및 물리적 특성

• 굴절률: 1.45
• 발화점(°F): >230 °F
• 발화점(°C): >110 °C
• 끓는점(°C): 165 °C
• 분자량: 205.250 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 205.131 Da
• Monoisotopic Mass: 205.131 Da
• Topological Polar Surface Area: 67.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 165.000
• 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