N,N-Diethyl-2-propyn-1-amine

Basic Information

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CAS Number

4079-68-9

Molecular Formula

C7H13N

Molecular Weight

101.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

157-161 ºC

Boiling Point

120°C

Water Solubility

Soluble in acid. Insoluble in water.

Flash Point

156 ºC

Refractive Index

1.52-1.522

SMILES

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CCN(CC)CC#C

InChI

InChI=1S/C7H13N/c1-4-7-8(5-2)6-3/h1H,5-7H2,2-3H3

InChIKey

JZJXKEWVUBVOEH-UHFFFAOYSA-N

LogP

1.3481

Topological Polar Surface Area

3.24 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

83.8

Safety Information

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GHS Hazard Pictograms

H225

H302

H311

H314

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 3 Class 3

Sensitiveness

Air & Light Sensitive

Synonyms & References

English

Dietylaminopropin
3-Diethylamino-1-propyne
2-Propyn-1-amine,N-diethyl-
diethyl-prop-2-ynyl-amine
N,N-Diethylpropargylamine
AS-31060
BRN 1098468
N,N-diethyl propargylamine
UNII-9X1BTC8Y1U
4079-68-9
N,N-Diethyl-2-propyn-1-amine #
9X1BTC8Y1U
DTXSID5063287
FT-0613816
N,N-Diethyl-2-propynylamine
3-(N,N-Diethylamino)propyne
NSC63868
N,N-Diethylpropargylamine, for protein sequence analysis, >=99.0% (GC)
1-N,N-Diethylamino-2-propyne
NSC 63868
NCIOpen2_000253
2-Propynylamine,N-diethyl-
diethyl(prop-2-yn-1-yl)amine
EN300-108688
4-04-00-01136 (Beilstein Handbook Reference)
AKOS009027472
SCHEMBL169244
NS00020087
2-PROPYNYLAMINE, N,N-DIETHYL-
N,N-diethylprop-2-yn-1-amine
N,N-diethyl-N-(2-propynyl)amine

MDL Number

MFCD00039881

Customs Code

2921199090

FAQ

What are the physical and chemical properties of N,N-Diethyl-2-propyn-1-amine (CAS: 4079-68-9)?

N,N-Diethyl-2-propyn-1-amine (CAS: 4079-68-9) is a colorless to light yellow liquid with a molecular weight of approximately 122.15 g/mol. It has a boiling point of 115-116°C and a melting point of -35°C. This compound is moderately soluble in water and highly soluble in organic solvents like ethanol and acetone. It is reactive towards nucleophiles and can undergo substitution reactions.

How is N,N-Diethyl-2-propyn-1-amine (CAS: 4079-68-9) typically synthesized?

N,N-Diethyl-2-propyn-1-amine can be synthesized via the amination of propargyl alcohol with ethylamine. The reaction usually employs a phase-transfer catalyst to improve the efficiency of the transformation. The yield is typically around 70-80%, and the reaction is conducted under mild conditions without requiring extreme temperatures or pressures.

What industries use N,N-Diethyl-2-propyn-1-amine (CAS: 4079-68-9)?

N,N-Diethyl-2-propyn-1-amine (CAS: 4079-68-9) is used in the pharmaceutical industry for the synthesis of certain drugs, particularly as an intermediate in the preparation of anti-inflammatory and analgesic agents. It is also used in the polymer industry as a modifier for improving the mechanical properties of polymers. Additionally, it has applications in the electronics industry, particularly in the production of organic semiconductors and sensors.

What precautions should be taken when handling N,N-Diethyl-2-propyn-1-amine (CAS: 4079-68-9)?

When handling N,N-Diethyl-2-propyn-1-amine (CAS: 4079-68-9), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Working in a well-ventilated area or fume hood is recommended to prevent inhalation of fumes. Spills should be cleaned up using appropriate absorbent materials, and proper disposal methods should be followed. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.