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

CAS: 32806-62-5 Cat. No.: P345099 Formule: C₈H₁₄O₄ Poids moléculaire: 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

Vue d’ensemble

2-Propylglutaric Acid is a valproic Acid metabolite compound.

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528756222

Sourires canoniques

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)

Isomères SMILES

CCCC(CCC(=O)O)C(=O)O

PubChem CID

134970

Poids moléculaire

174.19

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in Chloroform and Methanol
• Point de fusion (°C): 70-72° C
• Poids moléculaire: 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