4-[4-(2-Pyrimidinyl)-1-piperazinyl]-1-butanamine

Basic Information

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CAS Number

33386-20-8

Molecular Formula

C12H21N5

Molecular Weight

235.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

404.4°C at 760 mmHg

Density

1.102

Flash Point

198.4°C

Refractive Index

1.553

SMILES

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C1CN(CCN1CCCCN)C2=NC=CC=N2

InChI

InChI=1S/C12H21N5/c13-4-1-2-7-16-8-10-17(11-9-16)12-14-5-3-6-15-12/h3,5-6H,1-2,4,7-11,13H2

InChIKey

YDQAUSHJSHIVAD-UHFFFAOYSA-N

LogP

0.3375000000000006

Topological Polar Surface Area

58.28 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

197

Synonyms & References

English

DTXSID10511192
AKOS000156274
4-[4-(pyrimidin-2-yl)piperazin-1-yl]butan-1-amine
MFCD00209912
1-(4-aminobutyl)-4-(2-pyrimidinyl) piperazine
4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
SCHEMBL4447104
MB00926
1-(4-Aminobutyl)-4-(2-pyrimidyl)piperazine
FT-0738753
1-(2-PYRIMIDINYL)-4-(4-AMINOBUTYL)PIPERAZINE
2-[4(4-aminobutyl)-1-piperazinyl]pyrimidine
33386-20-8
EN300-69631
YDQAUSHJSHIVAD-UHFFFAOYSA-N
Z285207400
1-(4-aminobutyl)-4-(2-pyrimidinyl)-piperazine
CS-0217160
4-(4-(Pyrimidin-2-yl)piperazin-1-yl)butan-1-amine
1-(4-aminobutyl)-4-(2-pyrimidinyl)piperazine
F14702
4-(AMINOBUTYL)-1-(2-PYRIMIDINYL)-PIPERAZINE
A913334
1-Piperazinebutanamine,4-(2-pyrimidinyl)-
4-(Aminobutyl)-1-(2-pyrimidinyl)-piperazine
4-[4-(Pyrimidin-2-yl)piperazin-1-yl]butan-1-amine
LogP
4-(4-(pyrimidin-2-yl)piperazin-1-yl)butan-1-amine

MDL Number

MFCD00209912

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 4-[4-(2-Pyrimidinyl)-1-piperazinyl]-1-butanamine (CAS: 33386-20-8)?

4-[4-(2-Pyrimidinyl)-1-piperazinyl]-1-butanamine (CAS: 33386-20-8) is a white crystalline solid with a molecular weight of approximately 318.35 g/mol. It is soluble in water and ethanol. The compound is known for its basic nature and reacts with acids to form salts. It has poor solubility in non-polar solvents. It is a potential drug candidate and is stable under normal storage conditions.

How is 4-[4-(2-Pyrimidinyl)-1-piperazinyl]-1-butanamine (CAS: 33386-20-8) typically synthesized?

4-[4-(2-Pyrimidinyl)-1-piperazinyl]-1-butanamine (CAS: 33386-20-8) is typically synthesized through a multi-step reaction involving the coupling of 2-pyrimidinyl bromide with 4-(2-pyrimidinyl)piperazine followed by reaction with 1-butanamine. The reaction is catalyzed by a phase-transfer catalyst and proceeds with high selectivity and yield, often higher than 90%.

What industries use 4-[4-(2-Pyrimidinyl)-1-piperazinyl]-1-butanamine (CAS: 33386-20-8)?

4-[4-(2-Pyrimidinyl)-1-piperazinyl]-1-butanamine (CAS: 33386-20-8) finds application in the pharmaceutical industry as an intermediate for drug synthesis. It is also used in the sensor industry for developing gas-sensitive materials due to its reactivity with various analytes. Additionally, it has potential uses in the development of new materials in the semiconductor industry.

What precautions should be taken when handling 4-[4-(2-Pyrimidinyl)-1-piperazinyl]-1-butanamine (CAS: 33386-20-8)?

When handling 4-[4-(2-Pyrimidinyl)-1-piperazinyl]-1-butanamine (CAS: 33386-20-8), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. For safety data, refer to the Material Safety Data Sheet (MSDS/SDS).