11-Methyllauric acid - ≥95% , CAS No.5681-98-1

CAS: 5681-98-1 Cat. No.: M352372 분자식: C₁₃H₂₆O₂ 분자량: 214.34 EC 번호: 633-481-6

등급 & 순도 ≥95%

Synonyms

11-Methyldodecanoic acid, Isotridecanoic acid | Isotridecanoic acid | Isoundecylic acid | Q27146900 | 11-Methyllauric acid, >=98% | HY-W127517 | 11-methyllauric acid | iso-C13:0 | 11-METHYLDODECANOICACID | W-110634 | C13:0 iso | EINECS 246-997-8 | LMFA010

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

사양

동의어

11-Methyldodecanoic acid, Isotridecanoic acid | Isotridecanoic acid | Isoundecylic acid | Q27146900 | 11-Methyllauric acid, >=98% | HY-W127517 | 11-methyllauric acid | iso-C13:0 | 11-METHYLDODECANOICACID | W-110634 | C13:0 iso | EINECS 246-997-8 | LMFA010

사양 및 순도

≥95%

생화학 및 생리적 메커니즘

11-Methyl-lauric (11-Methyldodecanoic) acid is a methylated 13-carbon analog of the 12-carbon chain saturated fatty acid lauric acid. 11-Methyllauric may be used in comparative studies of the ability of medium chain saturated fatty acids to modulate infla

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥95%

이름과 식별자

Pubchem Sid

504753494

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753494

정식 스마일

CC(C)CCCCCCCCCC(=O)O

IUPAC Name

11-methyldodecanoic acid

InChIKey

SIOLDWZBFABPJU-UHFFFAOYSA-N

INCHI

1S/C13H26O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)

이성체 SMILES

CC(C)CCCCCCCCCC(=O)O

분자량

214.34

Reaxy-Rn

1767822

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1767822&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Branched fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Branched fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: Branched fatty acids

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

• 분자량: 214.340 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 214.193 Da
• Monoisotopic Mass: 214.193 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 153.000
• 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