Cas no 857283-67-1 (Benzoic acid,3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1))

Benzoic acid, 3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1) is a chemically synthesized organic compound featuring a benzoic acid core substituted with a morpholinylmethyl group at the 3-position. The hydrochloride salt form enhances its stability and solubility in aqueous solutions, while the hydrate ensures consistent crystalline properties. This compound is primarily utilized in pharmaceutical and chemical research as an intermediate or building block for further derivatization. Its well-defined stoichiometry (1:1:1) ensures reproducibility in synthetic applications. The morpholine moiety contributes to its potential bioactivity, making it relevant in medicinal chemistry studies. Proper handling and storage are recommended to maintain its integrity.
Benzoic acid,3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1) structure
857283-67-1 structure
Product Name:Benzoic acid,3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1)
CAS No:857283-67-1
MF:C12H18ClNO4
MW:275.728622913361
CID:719746
Update Time:2025-05-19

Benzoic acid,3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1) Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1)
    • 3-(MORPHOLIN-4-YLMETHYL)BENZOIC ACID HYDROCHLORIDE HYDRATE
    • 3-(morpholin-4-ylmethyl)benzoic acid,hydrate,hydrochloride
    • OR6746
    • Y7476
    • 3-(Morpholin-4-ylmethyl)benzoic acid hydrochloride hydrate 97%
    • Inchi: 1S/C12H15NO3.ClH.H2O/c14-12(15)11-3-1-2-10(8-11)9-13-4-6-16-7-5-13;;/h1-3,8H,4-7,9H2,(H,14,15);1H;1H2
    • InChI Key: SQUUPVRIGKRWHH-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C1=CC=CC(CN2CCOCC2)=C1.[H]Cl.[H]O[H]

Computed Properties

  • Exact Mass: 275.09200

Experimental Properties

  • Melting Point: 247 °C
  • Boiling Point: 474.1°C at 760 mmHg
  • Flash Point: 240.5°C
  • PSA: 59.00000
  • LogP: 1.89260

Benzoic acid,3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1) Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi

Benzoic acid,3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1) Customs Data

  • HS CODE:2934999090

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Additional information on Benzoic acid,3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1)

Comprehensive Analysis of Benzoic acid,3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1) (CAS No. 857283-67-1)

Benzoic acid,3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1) (CAS No. 857283-67-1) is a chemically modified derivative of benzoic acid, featuring a morpholine moiety and a hydrochloride salt form. This compound has garnered significant attention in pharmaceutical and biochemical research due to its unique structural properties and potential applications. The presence of the morpholinylmethyl group enhances its solubility and bioavailability, making it a promising candidate for drug development and other specialized applications.

In recent years, the demand for highly soluble organic compounds has surged, particularly in the fields of drug formulation and biochemical assays. Researchers are increasingly focusing on compounds like Benzoic acid,3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1) due to their ability to improve drug delivery systems. This compound's hydrate form further ensures stability under various environmental conditions, a critical factor for long-term storage and transportation.

The synthesis of Benzoic acid,3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1) involves a multi-step process, including the introduction of the morpholine group and subsequent salt formation. Advanced techniques such as NMR spectroscopy and mass spectrometry are employed to confirm its purity and structural integrity. These analytical methods are essential for ensuring compliance with pharmaceutical-grade standards, a topic frequently searched by professionals in the field.

One of the most searched questions in the context of this compound is: "What are the applications of morpholine derivatives in medicine?" The answer lies in their versatility. Morpholine derivatives are widely used as intermediates in the synthesis of antibiotics, antifungal agents, and central nervous system (CNS) drugs. The hydrochloride salt form of this compound further enhances its utility by improving its solubility in aqueous solutions, a property highly valued in injectable formulations.

Another trending topic is the role of hydrate forms in pharmaceutical stability. Benzoic acid,3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1) exemplifies how hydrate forms can mitigate issues like polymorphism and degradation, ensuring consistent performance in final products. This aligns with the growing emphasis on quality-by-design (QbD) principles in drug development, a hot topic in regulatory discussions.

From an industrial perspective, the compound's CAS No. 857283-67-1 serves as a unique identifier, facilitating global trade and regulatory compliance. Companies specializing in fine chemicals and custom synthesis often highlight this compound in their portfolios, catering to the rising demand for high-purity intermediates. Its applications extend beyond pharmaceuticals, finding use in agrochemicals and material science, where its chelating properties are exploited.

In conclusion, Benzoic acid,3-(4-morpholinylmethyl)-, hydrochloride, hydrate (1:1:1) (CAS No. 857283-67-1) represents a versatile and valuable compound in modern chemistry. Its unique structural features, combined with its solubility and stability, make it a focal point for researchers and industries alike. As the scientific community continues to explore its potential, this compound is poised to play a pivotal role in advancing drug delivery systems and other innovative applications.

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