Undecanedioic acid - ≥97% , CAS No.1852-04-6

CAS: 1852-04-6 Cat. No.: U107255 Formule: C₁₁H₂₀O₄ Poids moléculaire: 216.27 Beilstein Registry Number: 1780537 Numéro CE: 217-440-6 PubChem CID: 15816

GRADE & PURITY ≥97%

Synonyms

UNII-7059GFK8NV | Nonamethylenedicarboxylic Acid | NSC400241 | NSC-400241 | 7059GFK8NV | EINECS 217-440-6 | AS-14889 | N0333 | 1,9-Nonanedicarboxylicacid | EC 217-440-6 | W-109719 | 1,11-Undecanedioic acid | FT-0656248 | undecandisäure | A812932 | 1,9-Non

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

UNII-7059GFK8NV | Nonamethylenedicarboxylic Acid | NSC400241 | NSC-400241 | 7059GFK8NV | EINECS 217-440-6 | AS-14889 | N0333 | 1,9-Nonanedicarboxylicacid | EC 217-440-6 | W-109719 | 1,11-Undecanedioic acid | FT-0656248 | undecandisäure | A812932 | 1,9-Non

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 488182180
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182180
• Sourires canoniques: C(CCCCC(=O)O)CCCCC(=O)O
• IUPAC Name: undecanedioic acid
• InChIKey: LWBHHRRTOZQPDM-UHFFFAOYSA-N
• INCHI: 1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)
• Isomères SMILES: C(CCCCC(=O)O)CCCCC(=O)O
• WGK Allemagne: 3
• PubChem CID: 15816
• Poids moléculaire: 216.27
• Beilstein: 1780537
• Reaxy-Rn: 1780537

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: Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain 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 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

Propriétés chimiques et physiques

• Solubilité: Soluble in methanol
• Point de fusion (°C): 108-110°C
• Poids moléculaire: 216.270 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 216.136 Da
• Monoisotopic Mass: 216.136 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 169.000
• 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

Références

1. Qixiong Zhang, Shanshan Li, Jiandong Ren, Xia He, Houkui Shi, Fuzhong Zhang, Hui Li, Rongsheng Tong.  (2022)  ROS-triggered nanoinducer based on dermatan sulfate enhances immunogenic cell death in melanoma.  JOURNAL OF CONTROLLED RELEASE,      [PMID:35461966] [10.1016/j.jconrel.2022.04.026]

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1852-04-6, the molecular formula is C11H20O4, and the molecular weight is 216.27 g/mol. InChIKey LWBHHRRTOZQPDM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.