3-[(2-Hydroxyethyl)(3-methylphenyl)amino]propionitrile
[CAS# 119-95-9]

Identification

• Classification: Chemical reagent >> Organic reagent >> Imide
• Name: 3-[(2-Hydroxyethyl)(3-methylphenyl)amino]propionitrile
• Synonyms: 3-[N-(2-Hydroxyethyl)-m-toluidino]propiononitrile
• Molecular Formula: C₁₂H₁₆N₂O
• Molecular Weight: 204.27
• CAS Registry Number: 119-95-9
• EC Number: 204-360-1
• SMILES: CC1=CC(=CC=C1)N(CCC#N)CCO

Properties

• Density: 1.1±0.1 g/mL, Calc.^*
• Index of Refraction: 1.574, Calc.^*
• Boiling Point: 403.2±35.0 °C (760 mmHg), Calc.^*
• Flash Point: 197.6±25.9 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H315-H319
• Safety Statements: P264-P264+P265-P270-P280-P301+P317-P302+P352-P305+P351+P338-P321-P330-P332+P317-P337+P317-P362+P364-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Skin irritation	Skin Irrit.	2	H315
Eye irritation	Eye Irrit.	2	H319
Acute toxicity	Acute Tox.	4	H302

Discovery and Applications

3-[(2-Hydroxyethyl)(3-methylphenyl)amino]propionitrile, also known by its chemical abbreviation as HEMP, is an organic compound characterized by the presence of a hydroxyl group, an amino group, and a nitrile group. Its molecular formula is C12H15N2O, and it has garnered attention in the fields of medicinal chemistry and pharmaceuticals due to its potential biological activities. The discovery of HEMP can be traced back to ongoing research in the late 20th century aimed at developing novel compounds with therapeutic properties.

The synthesis of 3-[(2-hydroxyethyl)(3-methylphenyl)amino]propionitrile typically involves multi-step organic reactions that include the introduction of functional groups through amination and alkylation processes. The compound was initially explored for its possible applications as an intermediate in the synthesis of pharmaceuticals and agrochemicals, due to its unique structural characteristics that offer a platform for further functionalization.

One of the primary applications of HEMP is in the pharmaceutical industry, where it serves as a precursor for various biologically active compounds. The presence of both the amino and hydroxyl functional groups in its structure makes it a versatile building block for drug development. Research has indicated that compounds containing similar structures may exhibit anti-inflammatory, analgesic, and anti-cancer properties. Consequently, HEMP has been studied for its potential therapeutic roles, particularly in the context of chronic diseases where inflammation plays a significant role.

In addition to its pharmaceutical applications, 3-[(2-hydroxyethyl)(3-methylphenyl)amino]propionitrile is also explored for use in agrochemicals. Its structural features make it a candidate for developing herbicides and pesticides that can target specific biological pathways in plants or pests. The integration of HEMP into agrochemical formulations aims to enhance efficacy while minimizing environmental impact.

Despite its promising applications, the safety profile of HEMP and its derivatives is essential for their use in various industries. Regulatory agencies such as the U.S. Environmental Protection Agency (EPA) and the European Chemicals Agency (ECHA) evaluate the potential toxicity and environmental impact of such compounds. Safety assessments are crucial for ensuring that the use of HEMP in pharmaceuticals and agrochemicals meets the necessary health and environmental standards.

As the pharmaceutical and agricultural industries continue to evolve, the demand for innovative compounds like 3-[(2-hydroxyethyl)(3-methylphenyl)amino]propionitrile is likely to grow. Ongoing research aims to uncover additional biological activities and applications, expanding its role in drug discovery and agricultural practices. The compound exemplifies the intersection of organic chemistry and practical applications in medicine and agriculture, reflecting the importance of developing new chemical entities with beneficial properties.

In conclusion, 3-[(2-hydroxyethyl)(3-methylphenyl)amino]propionitrile is a valuable chemical compound with significant potential in the pharmaceutical and agrochemical industries. Its discovery has opened avenues for the development of novel therapeutic agents and crop protection products. Continued research into its properties and applications will be essential for realizing its full potential in addressing contemporary challenges in health and agriculture.

References

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