3-(4-Methyl-1-piperazinyl)benzoic acid

Basic Information

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CAS Number

215309-01-6

Molecular Formula

C12H16N2O2

Molecular Weight

220.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

187-190 ºC

Boiling Point

400.2°C at 760 mmHg

Flash Point

195.8℃

SMILES

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CN1CCN(CC1)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H16N2O2/c1-13-5-7-14(8-6-13)11-4-2-3-10(9-11)12(15)16/h2-4,9H,5-8H2,1H3,(H,15,16)

InChIKey

HALATUFUWLWCQV-UHFFFAOYSA-N

LogP

1.1365999999999998

Topological Polar Surface Area

43.78 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

249

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

HALATUFUWLWCQV-UHFFFAOYSA-N
SCHEMBL3319386
SY002775
A4629
AC-2740
215309-01-6
3-(4-Methylpiperazin-1-yl)benzoicacid
CS-W003336
AMY4737
AKOS003591746
3-(4-methylpiperazinyl)-benzoic acid
MFCD06742238
FS-2412
W-206640
DTXSID40406300
Benzoicacid, 3-(4-methyl-1-piperazinyl)-
FT-0649298
3-(4-Methylpiperazin-1-yl)benzoic acid
3-(4-Methyl-1-piperazinyl)benzoic acid
3-(4-methyl-1-piperazinyl)benzoic acid
3-(4-Methylpiperazinyl)-benzoic Acid
zlchem 853
PubChem12997
Jsp004377
ZLD0314
3-(4-methylpiperazinyl)benzoic acid
SBB063730
VZ26032
OR13862
RP05164

MDL Number

MFCD06742238

Customs Code

2933599090

FAQ

What regulatory guidelines apply to 3-(4-Methyl-1-piperazinyl)benzoic acid (CAS: 215309-01-6)?

3-(4-Methyl-1-piperazinyl)benzoic acid (CAS: 215309-01-6) falls under the regulation of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and is managed under the European Chemicals Agency (ECHA) under REACH regulations. It may also require registration with the U.S. EPA for certain uses. Please consult the latest regulatory documents for specific requirements.

Are there alternatives to 3-(4-Methyl-1-piperazinyl)benzoic acid (CAS: 215309-01-6) in synthesis?

Alternatives to 3-(4-Methyl-1-piperazinyl)benzoic acid include other piperazine derivatives and benzoic acid analogs. Common substitutes in synthesis include 4-methylpiperazine and its derivatives, which offer similar functional groups but may have different reactivity and solubility properties.

What is the market or research trend for 3-(4-Methyl-1-piperazinyl)benzoic acid (CAS: 215309-01-6)?

The trend for 3-(4-Methyl-1-piperazinyl)benzoic acid (CAS: 215309-01-6) is increasing in pharmaceutical and cosmetic applications due to its potential as an active ingredient. Research is focusing on its application in drug development and skin care products. Market demand is driven by its unique chemical properties and safety profile.

How should waste containing 3-(4-Methyl-1-piperazinyl)benzoic acid (CAS: 215309-01-6) be handled?

Waste containing 3-(4-Methyl-1-piperazinyl)benzoic acid (CAS: 215309-01-6) should be collected in suitable containers and stored in a secure, well-ventilated area. Dispose of the waste through a professional hazardous waste disposal service. Environmental protection measures should include proper incineration or chemical neutralization to ensure safe disposal and minimize environmental impact.