3-(Methylamino)propanenitrile

Basic Information

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CAS Number

693-05-0

Molecular Formula

C4H8N2

Molecular Weight

73.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

-21

Boiling Point

81°C/24mmHg

Density

0.899 g/mL at 25 °C

Refractive Index

n20/D 1.432(lit.)

SMILES

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CNCCC#N

InChI

InChI=1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3

InChIKey

UNIJBMUBHBAUET-UHFFFAOYSA-N

LogP

0.6157999999999999

Topological Polar Surface Area

12.03 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

59.2

Safety Information

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GHS Hazard Pictograms

H312

H315

H319

H332

H335

Hazard Statement

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

.beta.-(Methylamino)propionitrile
3-(methylamino)-propanenitrile
3-(methyl amino)-propionitrile
SY005346
NS00036827
J-800319
N-methyl-(2-cyanoethyl)amine
EN300-17544
beta-N-methylaminopropionitrile
N-Methyl-beta-aminopropionitrile
Q-100777
CS-W011357
3-04-00-01264 (Beilstein Handbook Reference)
N-methyl-N-(2-cyanoethyl)amine
EINECS 211-740-0
N-Methyl-beta-alaninenitrile
AKOS000118785
beta-(Methylamino)propionitrile
3-(Methylamino)propionitrile, 98%
Propanenitrile, 3-(methylamino)-
.beta.-Methylaminopropionitrile
beta-Methylaminopropionitril
N-methyl-N-(b-cyanoethyl)amine
b-methylaminopropionitrile
M2312
J-640316
3-(Methylamino)propanenitrile #
3-Methylaminopropionitrile
N-Methyl-A-alaninenitrile
FT-0632819
NSC 8399

MDL Number

MFCD00001954

Customs Code

29269095

FAQ

What regulatory guidelines apply to 3-(Methylamino)propanenitrile (CAS: 693-05-0)?

3-(Methylamino)propanenitrile (CAS: 693-05-0) falls under the GHS classification as a hazardous chemical. It is regulated under the REACH (Registration, Evaluation, Authorisation, and Restriction of Chemicals) in the European Union, where manufacturers and importers must register the chemical with ECHA. In the USA, it is regulated by the EPA under the Toxic Substances Control Act (TSCA) and is subject to FDA regulations for any pharmaceutical or food use. Proper handling, storage, and disposal are required to comply with these regulations.

Are there alternatives to 3-(Methylamino)propanenitrile (CAS: 693-05-0) in synthesis?

Several alternatives can be used in the synthesis of 3-(Methylamino)propanenitrile (CAS: 693-05-0). These include 3-(Dimethylamino)propanenitrile and 3-(Ethylamino)propanenitrile, which are structurally similar. Additionally, reagents such as methylamine and propionitrile can be used in alternative synthetic routes. These alternatives can provide similar functionality but with varying levels of reactivity and toxicity.

What is the market or research trend for 3-(Methylamino)propanenitrile (CAS: 693-05-0)?

The market for 3-(Methylamino)propanenitrile (CAS: 693-05-0) is driven by its use in pharmaceuticals, especially for intermediates in the synthesis of pharmaceuticals. Research trends are focusing on developing more efficient and environmentally friendly synthesis methods. Emerging applications include its use in agrochemicals and as a precursor in the production of other nitrogen-containing compounds. Market trends indicate steady demand with potential growth in the pharmaceutical and agricultural sectors.

How should waste containing 3-(Methylamino)propanenitrile (CAS: 693-05-0) be handled?

Waste containing 3-(Methylamino)propanenitrile (CAS: 693-05-0) should be handled according to local regulations and safety guidelines. Collect waste in appropriate containers, ensuring proper labeling. For disposal, incineration is a common method due to its hazardous nature. Alternatively, professional waste disposal services can be used. Environmental precautions include ensuring no runoff into water sources and minimizing exposure during handling. Always follow safety protocols to prevent accidents and ensure compliance with regulatory requirements.