3-[(3-Methylphenyl)amino]propanenitrile

Basic Information

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CAS Number

27618-25-3

Molecular Formula

C10H12N2

Molecular Weight

149.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

47.0ºC

Boiling Point

342.5 °C at 760 mmHg

Density

1.057

Flash Point

160.9 °C

Refractive Index

1.571

SMILES

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CC1=CC(=CC=C1)NCCC#N

InChI

InChI=1S/C10H12N2/c1-9-4-2-5-10(8-9)12-7-3-6-11/h2,4-5,8,12H,3,7H2,1H3

InChIKey

VUUHXRVVDUAGOL-UHFFFAOYSA-N

LogP

2.8169200000000014

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

168

Synonyms & References

English

3-(m-Toluidino) propiononitrile
DTXSID7067326
3-m-Toluidinopropiononitrile
3-(m-Tolylamino)propanenitrile
Propanenitrile, 3-((3-methylphenyl)amino)-
W-107099
FT-0657639
EN300-06990
EINECS 248-574-3
SMR000254607
AKOS001039228
3-[(3-methylphenyl)amino]propanenitrile
3-(m-Toluidino)propiononitrile
N-(2-cyanoethyl)-3-methylaniline
N-Cyanoethyl-m-toluidine
NCGC00246084-01
27618-25-3
Z56939180
CS-0153215
MLS000375354
SCHEMBL10624792
CHEMBL1584336
VUUHXRVVDUAGOL-UHFFFAOYSA-N
D97374
NS00028336
3-(3-methylanilino)propanenitrile
HMS2560D12
BS-49374
Propanenitrile, 3-[(3-methylphenyl)amino]-
3-(M-TOLUIDINO) PROPIONONITRILE
3-m-toluidinopropiononitrile

MDL Number

MFCD00129125

Customs Code

2926909090

FAQ

What are the physical and chemical properties of 3-[(3-Methylphenyl)amino]propanenitrile (CAS: 27618-25-3)?

3-[(3-Methylphenyl)amino]propanenitrile (CAS: 27618-25-3) is a colorless liquid with a molecular weight of approximately 181.22 g/mol. It has a pKa of about 28 and is moderately soluble in water but more soluble in organic solvents like ethanol and acetone. This compound is known for its low reactivity under normal conditions, but it can undergo protonation to form an amine salt under acidic conditions.

How is 3-[(3-Methylphenyl)amino]propanenitrile (CAS: 27618-25-3) typically synthesized?

3-[(3-Methylphenyl)amino]propanenitrile can be synthesized via the amination of propanenitrile with aniline in the presence of a base such as sodium hydroxide. Common methods include the use of copper catalysts or microwave-assisted techniques to enhance reactivity and yield. The final product is obtained with good selectivity and yield through these methods.

What industries use 3-[(3-Methylphenyl)amino]propanenitrile (CAS: 27618-25-3)?

3-[(3-Methylphenyl)amino]propanenitrile (CAS: 27618-25-3) is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the production of polymers, where its aromatic and amine functionalities can enhance material properties. Additionally, it is used in the development of sensors and as a precursor in semiconductor manufacturing processes.

What precautions should be taken when handling 3-[(3-Methylphenyl)amino]propanenitrile (CAS: 27618-25-3)?

When handling 3-[(3-Methylphenyl)amino]propanenitrile (CAS: 27618-25-3), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbents, and the area should be well ventilated. Ensure that a safety data sheet (SDS) is readily available for reference and follow all laboratory safety protocols.