1-Adamantanecarboxylic acid - ≥98% , CAS No.828-51-3

CAS: 828-51-3 Cat. No.: A107246 Peso molecular: 180.24 Beilstein Registry Number: 1910637 Número EC: 212-584-6

GRADE & PURITY ≥98%

Synonyms

1-adamantanecarboxylate (AC) | 1-Adamantoic Acid | admantane carboxylic acid | Tricyclo[3.3.1.13,7]-decane-2-carboxylic acid | 3-ADAMANTANECARBOXYLIC ACID | FS-2534 | SCHEMBL19557166 | 1-Adamantanecarboxylic acid, 99% | 1-Adamantanecarboxylic Acid (purifi

Storage

Room temperature

Shipped In

Normal

Descripción general

1-Adamantanecarboxylic acid can be used as:
A stabilizer in the synthesis of monodisperse, highly crystalline CoPt3 nanoparticles and porous platinum nanoparticles.
An additive in polycondensation reactions to yield conjugated polymers as possible optoelectronic materials.
An additive in the allylic substitution reaction, which is catalyzed by palladium in an aqueous medium.

Specifications

Sinónimos

1-adamantanecarboxylate (AC) | 1-Adamantoic Acid | admantane carboxylic acid | Tricyclo[3.3.1.13, 7]-decane-2-carboxylic acid | 3-ADAMANTANECARBOXYLIC ACID | FS-2534 | SCHEMBL19557166 | 1-Adamantanecarboxylic acid, 99% | 1-Adamantanecarboxylic Acid (purifi

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

1- adamantane carboxylic acid reacts with cyclohexane polysaccharide. It is an inhibitor for hydrolysis of cyclo-heptaamylose by phenyl ester.

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488181819
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181819
• Sonrisas canónicas: C1C2CC3CC1CC(C2)(C3)C(=O)O
• IUPAC Name: adamantane-1-carboxylic acid
• InChIKey: JIMXXGFJRDUSRO-UHFFFAOYSA-N
• INCHI: 1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)
• Isómeros SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)O
• WGK Alemania: 3
• RTECS: AU4452200
• Peso molecular: 180.24
• Beilstein: 1910637
• Reaxy-Rn: 1910637
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910637&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water. Solubility in methanol gives very faint turbidity. Soluble in ethanol, chloroform, and dichloromethane.
• Punto de fusión (°C): 173°C
• Peso molecular: 180.240 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 180.115 Da
• Monoisotopic Mass: 180.115 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 216.000
• 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

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