(3-{5-chloro-2-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}propyl)dimethylamine hydrochloride

Basic Information

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CAS Number

17321-77-6

Molecular Formula

C19H24Cl2N2

Molecular Weight

351.32 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

194-196°C

Boiling Point

434.2 °C at 760 mmHg

Solubility

H2O: 25 mg/mL

SMILES

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CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl.Cl

InChI

InChI=1S/C19H23ClN2.ClH/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22;/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3;1H

InChIKey

WIMWMKZEIBHDTH-UHFFFAOYSA-N

LogP

4.950200000000005

Topological Polar Surface Area

6.48 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

346

Safety Information

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Hazard Statement

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

Hazard Class

Class 6.1(b) Class 6.1(b)

Sensitiveness

sensitive to heat and light

Synonyms & References

English

SR-01000003088
3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride
LP00307
CLOMIPRAMINE HYDROCHLORIDE [ORANGE BOOK]
Tox21_500307
3-Chloroimipramine hydrochloride
Tox21_301819
BCP28468
NSC 759323
3-Chloro-10,11-dihydro-N,N-dimethyl-5H-dibenz(Z)[b,f]azepine-5-propanamine hydrochloride
MLS002548879
EINECS 241-344-3
UNII-2LXW0L6GWJ
AKOS015895084
CPD000058295
3-Chloro-10,11-dihydro-N,N-dimethyl-5H-dibenz[b,f]azepine-5-propanamine hydrochloride
17321-77-6
NCGC00093756-02
Clomipramine hydrochloride, >=98% (HPLC), powder
Clomicalm Tablets
3-(3-chloro-10,11-dihydro-5H-dibenzo(b,f)azepin-5-yl)-N,N-dimethylpropan-1-aminium chloride
DTXSID3042633
Clomipramine.HCl, 1mg/ml in Methanol
NC00678
NSC759323
EN300-6731078
SR-01000003088-2
Clomipramine hydrochloride [USAN:USP:JAN]
BC164325
HY-B0457
Clomipramine Hydrochloride 1.0 mg/ml in Methanol (as free base)

MDL Number

MFCD00069234

Customs Code

2933990090

FAQ

What is (3-{5-chloro-2-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}propyl)dimethylamine hydrochloride (CAS: 17321-77-6)?

This compound is a complex organic molecule with a chlorinated azatricyclo structure, featuring a dimethylamino group attached to a propyl chain. It is a hydrochloride salt, commonly used in specialized chemical applications. Its chemical formula is C17H29Cl2N2O·HCl, and it exhibits solubility in polar solvents. The compound's structure includes multiple double bonds and a nitrogen-containing ring system, contributing to its reactivity and functional versatility.

What are the main uses of (3-{5-chloro-2-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}propyl)dimethylamine hydrochloride (CAS: 17321-77-6)?

This compound is primarily used in pharmaceutical research as an intermediate for drug development, particularly in the synthesis of bioactive molecules. It also finds applications in chemical synthesis and industrial processes requiring functionalized nitrogen compounds. Its unique structure makes it valuable in creating derivatives for medicinal and research purposes, though specific uses depend on further chemical modification and application context.

Is (3-{5-chloro-2-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}propyl)dimethylamine hydrochloride (CAS: 17321-77-6) safe?

Safety of this compound depends on its handling and exposure conditions. As a chlorinated organic compound, it may pose health risks such as skin or eye irritation. Proper protective equipment, including gloves and goggles, is recommended during use. Always consult safety data sheets (SDS) and adhere to OSHA guidelines to ensure safe handling and compliance with chemical safety standards.

How should (3-{5-chloro-2-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}propyl)dimethylamine hydrochloride (CAS: 17321-77-6) be stored?

Store this compound in airtight, moisture-proof containers in a cool, dry place (ideally below 25°C) away from direct light. Due to its hygroscopic nature, maintain low humidity levels to prevent degradation. Avoid exposure to heat and light, and ensure storage conditions comply with chemical stability requirements. Keep it in a well-ventilated area and follow recommended storage guidelines from reliable chemical suppliers.