Ethyl 10-bromodecanoate - ≥96% , CAS No.55099-31-5

CAS: 55099-31-5 Cat. No.: E156566 분자식: C₁₂H₂₃BrO₂ 분자량: 279.22 Beilstein Registry Number: 2(3)847 EC 번호: 678-091-7

GRADE & PURITY ≥96%

Synonyms

MFCD01112172 | BS-17125 | AKOS016034710 | Ethyl 10-bromodecanoate | ethyl 10-bromo-decanoate | DTXSID90339972 | 10-Bromodecanoic acid, ethyl ester | AB92452 | SCHEMBL1703446 | 10-Bromodecanoic Acid Ethyl Ester | 10-Bromo-decanoic acid ethyl ester | Ethyl

Storage

Room temperature,Desiccated

Shipped In

Normal

Application

Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Specifications

동의어

MFCD01112172 | BS-17125 | AKOS016034710 | Ethyl 10-bromodecanoate | ethyl 10-bromo-decanoate | DTXSID90339972 | 10-Bromodecanoic acid, ethyl ester | AB92452 | SCHEMBL1703446 | 10-Bromodecanoic Acid Ethyl Ester | 10-Bromo-decanoic acid ethyl ester | Ethyl

사양 및 순도

≥96%

보관 조건

Room temperature,Desiccated

배송

Normal

순수함

≥96%

이름과 식별자

• 정식 스마일: CCOC(=O)CCCCCCCCCBr
• IUPAC Name: ethyl 10-bromodecanoate
• InChIKey: VWHLKJQERLYMNA-UHFFFAOYSA-N
• INCHI: 1S/C12H23BrO2/c1-2-15-12(14)10-8-6-4-3-5-7-9-11-13/h2-11H2,1H3
• 이성체 SMILES: CCOC(=O)CCCCCCCCCBr
• 분자량: 279.22
• Beilstein: 2(3)847
• Reaxy-Rn: 1771474
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1771474&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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: 1.46
• 끓는점(°C): 134°C/3mmHg(lit.)
• 분자량: 279.210 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 278.088 Da
• Monoisotopic Mass: 278.088 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 149.000
• 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