4-(1-Piperazinyl)aniline

Basic Information

View in Editor

CAS Number

67455-41-8

Molecular Formula

C10H15N3

Molecular Weight

177.25 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

Melting Point

119-123 °C

Boiling Point

380.2°C at 760 mmHg

Density

1.107

Flash Point

183.7°C

Refractive Index

1.59

SMILES

View in Editor

C1CN(CCN1)C2=CC=C(C=C2)N

InChI

InChI=1S/C10H15N3/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13/h1-4,12H,5-8,11H2

InChIKey

VAVOYRCCWLRTMS-UHFFFAOYSA-N

LogP

0.6783999999999999

Topological Polar Surface Area

41.29 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

146

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Synonyms & References

English

DTXSID60329709
4-piperazin-1-ylaniline
SCHEMBL531923
4-(4-AMINOPHENYL)PIPERAZINE
A835755
1-(4-Amino-phenyl)-piperazine
1-(4-Aminophenyl)piperazine
FT-0652779
BB 0261060
Oprea1_539427
ChemDiv3_014096
CHEMBL2335385
EN300-142996
AB09097
Oprea1_209661
(4-piperazin-1-ylphenyl)amine
TS-02468
67455-41-8
Benzenamine,4-(1-piperazinyl)-
4-Piperazinoaniline
AKOS000301173
4-(Piperazin-1-yl)aniline
4-piperazin-1-ylphenylamine
HMS1513A16
IDI1_029894
4-(1-piperazinyl)aniline
1-(4-Aminophenyl)piperazine, 97%
MFCD01365906
VAVOYRCCWLRTMS-UHFFFAOYSA-N
4-Piperazin-1-yl-phenylamine
1-(p-Aminophenyl)piperazine

MDL Number

MFCD01365906

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 4-(1-Piperazinyl)aniline (CAS: 67455-41-8)?

4-(1-Piperazinyl)aniline (CAS: 67455-41-8) is a crystalline solid with a molecular weight of approximately 217.26 g/mol. It is slightly soluble in water and ethanol. The compound is reactive towards basic conditions and can undergo electrophilic aromatic substitution reactions. It has a pKa of about 8.5, indicating basicity.

How is 4-(1-Piperazinyl)aniline (CAS: 67455-41-8) typically synthesized?

4-(1-Piperazinyl)aniline is typically synthesized by the Suzuki coupling of 1-piperazinecarboxylic acid phenyl ester with phenylboronic acid in the presence of a palladium catalyst and a base such as sodium carbonate. The reaction yields a high purity product with good selectivity and high yield.

What industries use 4-(1-Piperazinyl)aniline (CAS: 67455-41-8)?

4-(1-Piperazinyl)aniline (CAS: 67455-41-8) is used in the pharmaceutical industry for the synthesis of various drugs, particularly those requiring basic functional groups. It is also utilized in the polymer industry for the preparation of functional polymers and in the electronics industry for the production of semiconductors and sensors.

What precautions should be taken when handling 4-(1-Piperazinyl)aniline (CAS: 67455-41-8)?

When handling 4-(1-Piperazinyl)aniline, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate safety protocols, and the Material Safety Data Sheet (MSDS/SDS) should be consulted for detailed information on handling and storage.