2-Methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-1-propanone hydrochloride (1:1)

Basic Information

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CAS Number

3644-61-9

Molecular Formula

C16H24ClNO

Molecular Weight

281.83 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

171.0 to 174.0 deg-C

Boiling Point

373.9°C at 760 mmHg

Water Solubility

almost transparency

Solubility

H2O: >20mg/mL

SMILES

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CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.Cl

InChI

InChI=1S/C16H23NO.ClH/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17;/h6-9,14H,3-5,10-12H2,1-2H3;1H

InChIKey

ZBUVYROEHQQAKL-UHFFFAOYSA-N

LogP

3.721520000000004

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

262

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Toxicity

LD50 s.c. in mice: 620 mg/kg (Porszasz, 1961)

Synonyms & References

English

Tolperisone hydrochloride, >=98% (HPLC), solid
SR-01000872774-1
1-Propanone, 2-methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-, hydrochloride
MINACALM
TOLPERISONE HYDROCHLORIDE [MART.]
TOLFREE
A18694
Atmosgen
Muscalm (TN)
Tox21_111360_1
CHEBI:32244
NCGC00094929-02
AS-12472
SR-01000872774
CAS-3644-61-9
TOLISARTINE
Tolperisonehydrochloride
Tox21_113139
Muscalm
TOLPIDOL
D01507
8Z075K2TIG
UNII-8Z075K2TIG
SCHEMBL872770
s4200
Tolperisone hydrochloride
MLS004773941
SMR003500666
AV 650
N-553
BP-10588

MDL Number

MFCD00058211

Customs Code

2933399090

FAQ

What is 2-Methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-1-propanone hydrochloride (CAS: 3644-61-9)?

2-Methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-1-propanone hydrochloride (1:1) is a chemical compound with a complex molecular structure. It has a chemical formula of C16H21NO2.HCl. This compound is used in pharmaceutical and research applications due to its unique properties.

What are the main uses of 2-Methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-1-propanone hydrochloride (CAS: 3644-61-9)?

2-Methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-1-propanone hydrochloride (1:1) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of drugs and in research for its potential therapeutic applications.

Is 2-Methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-1-propanone hydrochloride (CAS: 3644-61-9) safe?

2-Methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-1-propanone hydrochloride (1:1) is generally considered safe when handled properly. However, it is important to follow safety guidelines, including the use of personal protective equipment such as gloves and goggles, and to work in a well-ventilated area. Exposure to this compound should be minimized to avoid potential health risks.

How should 2-Methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-1-propanone hydrochloride (CAS: 3644-61-9) be stored?

2-Methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-1-propanone hydrochloride (1:1) should be stored in a cool, dry place away from direct sunlight and heat sources. The container should be tightly sealed to prevent moisture absorption and degradation. It is advisable to store it in a well-ventilated area and avoid contact with incompatible materials like strong acids or bases.