Agomelatine Impurity A HCl

Basic Information

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CAS Number

139525-77-2

Molecular Formula

C13H16ClNO

Molecular Weight

237.73 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Powder

Boiling Point

383.1 °C at 760 mmHg

Flash Point

383.1 °C at 760 mmHg

SMILES

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COC1=CC2=C(C=CC=C2CCN)C=C1.Cl

InChI

InChI=1S/C13H15NO.ClH/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12;/h2-6,9H,7-8,14H2,1H3;1H

InChIKey

HPYGZUDDGWEYDQ-UHFFFAOYSA-N

LogP

2.7714

Topological Polar Surface Area

35.25 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

195

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

HPYGZUDDGWEYDQ-UHFFFAOYSA-N
2-(7-METHOXY-1-NAPHTHYL)ETHYLAMINE HYDROCHLORIDE
7-methoxy-1-Naphthaleneethanamine hydrochloride
2-(7-methoxynaphth-1-yl)ethylamine hydrochloride
DTXSID00581546
2-(7-methoxynaphthalen-1-yl)ethanamine;hydrochloride
2-(7-methoxy-1-naphthyl)ethanamine hydrochloride;2-(7-Methoxynaphthalen-1-yl)ethanamine hydrochloride
2-(7-Methoxynaphthalen-1-yl)ethanaminehydrochloride
2-(7-Methoxynaphthalen-1-yl)ethan-1-amine--hydrogen chloride (1/1)
SCHEMBL577758
AM20090761
AKOS015902223
AC-24367
2-(7-methoxynaphthalen-1-yl)ethanamine hydrochloride
DS-16272
A807554
2-(7-Methoxy-1-naphthyl)ethylamine HCl
139525-77-2
2-(7-Methoxyl-1-naphthyl)ethanamine hydrochloride
2-(7-methoxynaphthalen-1-yl)ethan-1-amine hydrochloride
FT-0654887
EN300-7417013
Z3234890004
BCP18518
CS-0150261
MFCD13185884
2-(7-Methoxy-1-naphthyl)ethanamine hydrochloride
1-Naphthaleneethanamine, 7-methoxy-, hydrochloride
1-Naphthaleneethanamine, 7-methoxy-, hydrochloride (1:1)
2-(7-Methoxynaphthalen-1-yl)ethanamine hydrochloride
1-naphthaleneethanamine, 7-Methoxy-hydrochloride

MDL Number

MFCD13185884

Customs Code

2922299090

FAQ

What regulatory guidelines apply to Agomelatine Impurity A HCl (CAS: 139525-77-2)?

Agomelatine Impurity A HCl (CAS: 139525-77-2) is subject to various regulatory guidelines including GHS classifications for hazards, REACH regulations for chemical safety, and FDA/EPA requirements for pharmaceutical and environmental safety. Compliance with these guidelines ensures that the compound is handled safely and legally.

Are there alternatives to Agomelatine Impurity A HCl (CAS: 139525-77-2) in synthesis?

In synthesis, Agomelatine Impurity A HCl (CAS: 139525-77-2) can be replaced by using alternative reagents like other HCl impurities or specific isomers. These alternatives can help in optimizing the synthesis process, reducing costs, and improving product purity.

What is the market or research trend for Agomelatine Impurity A HCl (CAS: 139525-77-2)?

The market for Agomelatine Impurity A HCl (CAS: 139525-77-2) is closely tied to the broader market for agomelatine, a melatonin receptor agonist used in treating depression. Recent research trends focus on developing more effective and safer alternatives, which may impact the demand for impurities like this one.

How should waste containing Agomelatine Impurity A HCl (CAS: 139525-77-2) be handled?

Waste containing Agomelatine Impurity A HCl (CAS: 139525-77-2) should be collected in sealed containers, labeled appropriately, and disposed of through professional waste disposal services. Environmental precautions include ensuring no release into water bodies and following local regulations for hazardous waste management.