ETHYL 2-BROMOMYRISTATE , CAS No.14980-92-8

CAS: 14980-92-8 Cat. No.: E167426 Formule: C₁₆H₃₁BrO₂ Poids moléculaire: 335.328 Numéro CE: 239-059-4

Synonyms

EINECS 239-059-4 | ethyl -2-bromomyristate | Ethyl 2-bromomyristate | NSC 74506 | Alphabromo-myristic acid ethyl ester | Ethyl 2-bromotetradecanoate | AKOS015889164 | ETHYL-2-BROMOMYRISTATE | FT-0625941 | Ethyl alpha-bromomyristate | Tetradecanoic acid, 2

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

EINECS 239-059-4 | ethyl -2-bromomyristate | Ethyl 2-bromomyristate | NSC 74506 | Alphabromo-myristic acid ethyl ester | Ethyl 2-bromotetradecanoate | AKOS015889164 | ETHYL-2-BROMOMYRISTATE | FT-0625941 | Ethyl alpha-bromomyristate | Tetradecanoic acid, 2

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Noms et identifiants

Sourires canoniques

CCCCCCCCCCCCC(C(=O)OCC)Br

IUPAC Name

ethyl 2-bromotetradecanoate

InChIKey

JQQZIRFEGUUJBP-UHFFFAOYSA-N

INCHI

1S/C16H31BrO2/c1-3-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19-4-2/h15H,3-14H2,1-2H3

Isomères SMILES

CCCCCCCCCCCCC(C(=O)OCC)Br

Poids moléculaire

335.328

Reaxy-Rn

1785156

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1785156&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Alpha-halocarboxylic acid derivatives 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 - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Carbonyl group - Alkyl bromide - Alkyl halide - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 335.320 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 334.151 Da
• Monoisotopic Mass: 334.151 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 207.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1