9,13b-Dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine

Basic Information

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CAS Number

80012-43-7

Molecular Formula

C16H15N3

Molecular Weight

249.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

200-216°C

SMILES

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C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N

InChI

InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)

InChIKey

WHWZLSFABNNENI-UHFFFAOYSA-N

LogP

2.4668

pKa

11.2(at 25℃)

Topological Polar Surface Area

41.62 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

378

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

Synonyms & References

English

EPINASTINE [WHO-DD]
1H-Dibenz[c,f]imidazo[1,5-a]azepin-3-amine, 9,13b-dihydro-
Purivist (TN)
BDBM50131441
Epinastina
CHEMBL1106
9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine
1H-DIBENZ(C,F)IMIDAZO(1,5-A)AZEPIN-3-AMINE, 9,13B-DIHYDRO-
80012-43-7
Epinastinum [Latin]
9,13b-Dihydro-1H-dibenz(c,f)imidazo(1,5a)azepin-3-amin
EX-A4762
2,4-diazatetracyclo[12.4.0.0^{2,6}.0^{7,12}]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine
UNII-Q13WX941EF
MFCD00865648
A917968
Epinastinum (Latin)
epinastine
9,13B-DIHYDRO-1H-DIBENZ(C,F)IMIDAZO(1,5-A)AZEPIN-3-AMINE
9,13b-dihydro-1H-dibenzo(c,f)imidazo(1,5-a)azepin-3-amine
Epinastina [Spanish]
NS00005464
Epinastin
NCGC00165791-03
WHWZLSFABNNENI-UHFFFAOYSA-N
FT-0630877
AS-12835
GTPL7176
3-amino-9,13b-dihydro-1H-benz(c,f)imidazo(1,5a)azepine
Epinastine (INN)
HY-B0640

MDL Number

MFCD00865648

FAQ

What regulatory guidelines apply to 9,13b-Dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine (CAS: 80012-43-7)?

The compound, 9,13b-Dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine (CAS: 80012-43-7), falls under various regulatory frameworks. It is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA and EPA guidelines in the United States. Specific testing and documentation are required for shipping, storage, and handling based on its potential hazards.

Are there alternatives to 9,13b-Dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine (CAS: 80012-43-7) in synthesis?

In the synthesis of complex azepin derivatives like 9,13b-Dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine (CAS: 80012-43-7), alternatives such as other nitrogen heterocycles, isomers, and analogs can be considered. Common alternatives include various imidazoles, pyrroles, and azaindenes. These can serve as effective starting materials or intermediates depending on the specific reaction conditions.

What is the market or research trend for 9,13b-Dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine (CAS: 80012-43-7)?

The market and research trends for 9,13b-Dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine (CAS: 80012-43-7) are driven by its unique chemical properties, making it a focus in medicinal chemistry and pharmaceutical research. Increasingly, there is a trend towards its use in drug discovery, particularly in targeting receptor pathways. The compound is also seen in the development of potential antiviral and anti-inflammatory agents.

How should waste containing 9,13b-Dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine (CAS: 80012-43-7) be handled?

Waste containing 9,13b-Dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine (CAS: 80012-43-7) should be collected and disposed of according to local and national regulations. Proper waste management includes segregating hazardous waste, using appropriate packaging, and incineration or professional waste disposal services. Environmental protection measures such as containment and neutralization of any aqueous solutions should be taken to minimize environmental impact.