3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethyl-1-propanamine hydrochloride (1:1)

Basic Information

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CAS Number

1229-29-4

Molecular Formula

C19H22ClNO

Molecular Weight

315.84 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

186.0 to 190.0 deg-C

Boiling Point

413.3°C at 760 mmHg

Water Solubility

Soluble in water (100 mM), chloroform (1:2), alcohol (1:1), methanol, and DMSO.

Solubility

1 M HCl: 50 mg/mL

SMILES

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CN(C)CCC=C1C2=CC=CC=C2COC3=CC=CC=C31.Cl

InChI

InChI=1S/C19H21NO.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H

InChIKey

MHNSPTUQQIYJOT-UHFFFAOYSA-N

LogP

4.384200000000003

Topological Polar Surface Area

12.47 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

363

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Stability

Store in Freezer at -20°C

Synonyms & References

English

(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethyl-propan-1-amine hydrochloride
Tox21_110130_1
DOXEPIN HYDROCHLORIDE (USP MONOGRAPH)
Q-201044
DTXCID6025145
D 4526
LP00339
Dibenz(b,e)oxepin-delta(sup 11(6H),gamma)-propylamine, N,N-dimethyl-, hydrochloride
Zonalon (TN)
3U9A0FE9N5
Quitaxon
NSC108160
Doxepin Hydrochloride
EU-0100339
UNII-3U9A0FE9N5
CHEBI:4711
BD166235
Sinequan (TN)
KS-5094
1229-29-4
NC00447
SMR000058230
Doxepin.HCl, 1mg/ml in Methanol
Opera_ID_675
E-DOXEPIN HYDROCHLORIDE
Sinequin
Adapin
4698-39-9
MLS002548858
CHEMBL1200462

MDL Number

MFCD00079135

Customs Code

2932999099

FAQ

What is 3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethyl-1-propanamine hydrochloride (1:1) (CAS: 1229-29-4)?

3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethyl-1-propanamine hydrochloride (1:1), with CAS number 1229-29-4, is a chemical compound commonly used in pharmaceutical research. It is a derivative of dibenzo[b,e]oxepine, featuring a hydrochloride salt form, which enhances its solubility and stability. The compound is known for its potential as a bioactive molecule in drug development.

What are the main uses of 3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethyl-1-propanamine hydrochloride (1:1) (CAS: 1229-29-4)?

This compound is primarily used in pharmaceutical research for its potential biological activity. It may serve as a lead compound in the development of drugs targeting neurological or psychiatric disorders. Additionally, it is used in chemical synthesis and as a reagent in organic chemistry applications. Its specific uses depend on the research context and desired functional properties.

Is 3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethyl-1-propanamine hydrochloride (1:1) (CAS: 1229-29-4) safe?

Safety of 3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethyl-1-propanamine hydrochloride (1:1) (CAS: 1229-29-4) depends on its application. As a research chemical, it is generally considered safe when handled properly with appropriate personal protective equipment (PPE). However, it should be treated with care to avoid skin contact and inhalation. Always follow safety guidelines and regulations when working with this compound.

How should 3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethyl-1-propanamine hydrochloride (1:1) (CAS: 1229-29-4) be stored?

This compound should be stored in a cool, dry, and dark place, ideally at temperatures below 25°C. It is sensitive to moisture and light, so it should be kept in a sealed container to maintain stability. Proper storage conditions are essential to prevent degradation and ensure the compound remains effective for research or industrial use.