3-[Butyl(phenyl)amino]propanenitrile

Basic Information

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CAS Number

61852-40-2

Molecular Formula

C13H18N2

Molecular Weight

202.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Boiling Point

148°C/0.7mmHg

Density

0.99

Flash Point

143.4 °C

Refractive Index

1.538

SMILES

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CCCCN(CCC#N)C1=CC=CC=C1

InChI

InChI=1S/C13H18N2/c1-2-3-11-15(12-7-10-14)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,11-12H2,1H3

InChIKey

KMGZOJSHGRNXOC-UHFFFAOYSA-N

LogP

3.20678

Complexity

198

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

CS-0188385
SB78181
SCHEMBL9323694
3-(Butylphenylamino)propiononitrile
MFCD00019863
D89317
FD7XA8E2QK
3-(Butylanilino)propanenitrile #
3-[butyl(phenyl)amino]propanenitrile
NS00034818
3-(Butyl(phenyl)amino)propanenitrile
A833452
EINECS 263-275-8
Propanenitrile, 3-(butylphenylamino)-
61852-40-2
3-(N-Butyl-N-phenylamino)propionitrile
Cyanoethylbutylaniline
N-Butyl-N-(2-cyanoethyl)aniline
UNII-FD7XA8E2QK
AC-11535
W-105088
DTXSID8069513
N-BUTYL-N-(.BETA.-CYANOETHYL)ANILINE
N-(2-Cyanoethyl)-N-butylaniline
3-(Butylphenylamino)propanenitrile
FT-0640792
3-(N-butylanilino)propanenitrile
N-(2-Cyanoethyl)-N-N-butylaniline
AKOS000196608
AS-62922
3-(N-BUTYLANILINO)-PROPIONITRILE

MDL Number

MFCD00019863

Customs Code

2926909090

FAQ

What regulatory guidelines apply to 3-[Butyl(phenyl)amino]propanenitrile (CAS: 61852-40-2)?

3-[Butyl(phenyl)amino]propanenitrile (CAS: 61852-40-2) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) requirements. Specific handling, storage, and disposal guidelines must be followed to ensure safety and compliance.

Are there alternatives to 3-[Butyl(phenyl)amino]propanenitrile (CAS: 61852-40-2) in synthesis?

Alternatives to 3-[Butyl(phenyl)amino]propanenitrile (CAS: 61852-40-2) in synthesis include its isomers and analogs such as 3-(ethyl(phenyl)amino)propanenitrile. Other common reagents used as substitutes include various amines and nitriles, depending on the specific synthetic route and desired properties of the final product.

What is the market or research trend for 3-[Butyl(phenyl)amino]propanenitrile (CAS: 61852-40-2)?

The market for 3-[Butyl(phenyl)amino]propanenitrile (CAS: 61852-40-2) is driven by its use in various applications, including pharmaceuticals and agrochemicals. Research trends are focused on its potential as a versatile intermediate and for developing new derivatives with enhanced properties. Pricing trends show fluctuations based on supply and demand, with increasing interest in sustainable and green chemistry approaches.

How should waste containing 3-[Butyl(phenyl)amino]propanenitrile (CAS: 61852-40-2) be handled?

Waste containing 3-[Butyl(phenyl)amino]propanenitrile (CAS: 61852-40-2) should be collected in appropriate containers and stored in a secure, well-ventilated area. Disposal should be handled through professional waste disposal services to ensure environmental safety. Precautions include proper labeling, monitoring for leaks, and adherence to local and national waste management regulations.