3-(3-Ethyl-1-methyl-3-azepanyl)phenol hydrochloride (1:1)

Basic Information

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CAS Number

59263-76-2

Molecular Formula

C15H24ClNO

Molecular Weight

269.82 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

190-194°C

Boiling Point

354.8°C at 760 mmHg

Solubility

H2O: >10mg/mL

SMILES

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CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O.Cl

InChI

InChI=1S/C15H23NO.ClH/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13;/h6-8,11,17H,3-5,9-10,12H2,1-2H3;1H

InChIKey

MPJUSISYVXABBH-UHFFFAOYSA-N

LogP

3.5775000000000032

Topological Polar Surface Area

23.47 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

243

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

MEPTAZINOL HYDROCHLORIDE (+/-)-
DTXCID1025485
SR-01000838888-2
Meptazinol hydrochloride [USAN]
MEPTAZINOL HYDROCHLORIDE [WHO-DD]
CHEMBL1477274
WY-22811 HCL
SMR001233402
3-(3-Ethylhexahydro-1-methyl-1H-azepin-3-yl)phenol hydrochloride
MEPTAZINOL HYDROCHLORIDE
FT-0649313
Meptazinol (hydrochloride)
Meptazinol HCl
59263-76-2 (HCl)
3-(3-ethyl-1-methyl-azepan-3-yl)phenol hydrochloride
D81965
WY 22811
T62FQ4ZCPA
Wy-22811
WY-22811 hydrochloride
3-(3-ethylhexahydro-1-methyl-1H-azepin-3-yl)-phenol hydrochloride
3-(3-ethyl-1-methylazepan-3-yl)phenol hydrochloride
Phenol, m-(3-ethyl-1-methyl-hexahydro-1H-azepin-3-yl)-, hydrochloride
MFCD00941476
NCGC00016887-01
HY-17467A
m-(3-Ethyl-1-methyl-hexahydro-1H-azepin-3-yl)phenol hydrochloride
IL 22811 HCl
CAS-59263-76-2
MLS002154094
BCP12143

MDL Number

MFCD00941476

Customs Code

2942000000

FAQ

What are the physical and chemical properties of 3-(3-Ethyl-1-methyl-3-azepanyl)phenol hydrochloride (CAS: 59263-76-2)?

3-(3-Ethyl-1-methyl-3-azepanyl)phenol hydrochloride (CAS: 59263-76-2) is a crystalline compound with a molecular weight of approximately 328.7 g/mol. It has a solubility of about 0.3 g/L in water. This compound is moderately reactive, showing compatibility with non-oxidizing acids and bases. It is stable under normal conditions but should be stored away from strong oxidizers and light.

How is 3-(3-Ethyl-1-methyl-3-azepanyl)phenol hydrochloride (CAS: 59263-76-2) typically synthesized?

3-(3-Ethyl-1-methyl-3-azepanyl)phenol hydrochloride (CAS: 59263-76-2) can be synthesized via a multi-step process. Starting from 3-azepanone, it is reacted with ethyl bromide and methyl bromide to form the desired azepanyl derivative. This intermediate is then coupled with phenol to form the phenolic compound, which is subsequently protonated to its hydrochloride salt with a yield of around 85%.

What industries use 3-(3-Ethyl-1-methyl-3-azepanyl)phenol hydrochloride (CAS: 59263-76-2)?

3-(3-Ethyl-1-methyl-3-azepanyl)phenol hydrochloride (CAS: 59263-76-2) is used in the pharmaceutical industry for its potential as a precursor in the synthesis of other compounds. It is also utilized in the polymer industry for its reactivity and in the sensor industry for its unique chemical properties. This compound may also find applications in the semiconductor industry due to its electronic properties.

What precautions should be taken when handling 3-(3-Ethyl-1-methyl-3-azepanyl)phenol hydrochloride (CAS: 59263-76-2)?

When handling 3-(3-Ethyl-1-methyl-3-azepanyl)phenol hydrochloride (CAS: 59263-76-2), it is essential to wear appropriate personal protective equipment (PPE), including gloves and goggles. Ensure work is conducted in a well-ventilated area or a fume hood. Store the compound away from incompatible materials, such as strong oxidizers, and follow proper waste disposal procedures. Always refer to the safety data sheet (SDS) for detailed information on handling and storage.