2-Propylglutaric Acid - ≥98% , CAS No.32806-62-5

CAS: 32806-62-5 Cat. No.: P345099 Summenformel: C₈H₁₄O₄ Molekulargewicht: 174.19 PubChem CID: 134970

GRADE & PURITY ≥98%

Synonyms

2-Propylpentanedioic acid | SCHEMBL2230782 | 2-Propylglutaric acid | 2-PGA | 2-PROPYL GLUTARIC ACID | Pentanedioic acid, 2-propyl- | 2-Propylglutaricacid | CHEBI:80644 | DTXSID90954462 | Q27149694 | AKOS006276317 | FT-0674097 | 2-n-propylglutaric acid | 2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

2-Propylglutaric Acid is a valproic Acid metabolite compound.

Specifications

Synonyme

2-Propylpentanedioic acid | SCHEMBL2230782 | 2-Propylglutaric acid | 2-PGA | 2-PROPYL GLUTARIC ACID | Pentanedioic acid, 2-propyl- | 2-Propylglutaricacid | CHEBI:80644 | DTXSID90954462 | Q27149694 | AKOS006276317 | FT-0674097 | 2-n-propylglutaric acid | 2

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528756222
• Kanonisches Lächeln: CCCC(CCC(=O)O)C(=O)O
• IUPAC Name: 2-propylpentanedioic acid
• InChIKey: IFNXFIJXYVEYLF-UHFFFAOYSA-N
• INCHI: 1S/C8H14O4/c1-2-3-6(8(11)12)4-5-7(9)10/h6H,2-5H2,1H3,(H,9,10)(H,11,12)
• Isomere SMILES: CCCC(CCC(=O)O)C(=O)O
• PubChem CID: 134970
• Molekulargewicht: 174.19

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Methyl-branched fatty acids Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Methyl-branched fatty acid - Branched fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: 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: dicarboxylic acid

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Chloroform and Methanol
• Schmelzpunkt (°C): 70-72° C
• Molekulargewicht: 174.190 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 174.089 Da
• Monoisotopic Mass: 174.089 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 164.000
• 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