1,4-Diazepane

Basic Information

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CAS Number

505-66-8

Molecular Formula

C5H12N2

Molecular Weight

100.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Powder

Melting Point

41.0 to 45.0 deg-C

Boiling Point

167°C

Water Solubility

Soluble in water.

Refractive Index

1.4378 (estimate)

SMILES

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C1CNCCNC1

InChI

InChI=1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2

InChIKey

FQUYSHZXSKYCSY-UHFFFAOYSA-N

LogP

-0.43069999999999986

Topological Polar Surface Area

24.06 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

39.3

Safety Information

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GHS Hazard Pictograms

H311

H314

Hazard Statement

H311 Toxic in contact with skin
Acute toxicity, dermal

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Air Sensitive & Hygroscopic

Synonyms & References

English

1,4-Diazepane #
Homopiperazine;
Hexahydro-1,4-diazepine
FT-0660667
FT-0600442
[1,4]Diazepane
Homopiperazine
hexahydro-2H-1,4-diazepine
FT-0688601
NS00032079
EINECS 208-016-1
Homopiperazine, 98%
Q27271776
1H-1,4-Diazepine, hexahydro-
DTXSID1060130
H0572
1,4-Diazepane
EN300-19058
F10906
perhydro-[1,4]-diazepine
Homopiperazine, technical, >=98.0% (NT)
A828180
2,3,4,5,6,7-Hexahydro-1H-1,4-diazepine
AC-4548
95CL167W8T
AM100887
homopiperzine
homopiperizine
505-66-8
5-23-03-00240 (Beilstein Handbook Reference)
AKOS000119722

MDL Number

MFCD00006933

Customs Code

2942000000

FAQ

What is 1,4-Diazepane (CAS: 505-66-8)?

1,4-Diazepane (CAS: 505-66-8) is a cyclic organic compound containing seven atoms in its ring structure, with two nitrogen atoms at the 1 and 4 positions. It is a white crystalline solid with a molecular formula of C5H10N2 and exhibits moderate solubility in water. This compound is known for its stability under normal conditions and is commonly used as a building block in synthetic chemistry.

What are the main uses of 1,4-Diazepane (CAS: 505-66-8)?

1,4-Diazepane (CAS: 505-66-8) is primarily used in pharmaceutical research as a scaffold for drug development. It also finds applications in the synthesis of various organic compounds, including heterocyclic derivatives. Additionally, it is used in industrial processes for the production of chemical intermediates and in research settings for studying ring structures and reactivity.

Is 1,4-Diazepane (CAS: 505-66-8) safe?

1,4-Diazepane (CAS: 505-66-8) is generally considered safe when handled properly, but it may have mild toxicity if ingested or inhaled. It is important to use appropriate personal protective equipment (PPE) such as gloves and goggles when working with this compound. Safety standards recommend following standard chemical handling protocols to ensure safe use in laboratories and industrial environments.

How should 1,4-Diazepane (CAS: 505-66-8) be stored?

1,4-Diazepane (CAS: 505-66-8) should be stored in a cool, dry, and well-ventilated area away from direct sunlight. It is best kept in a sealed container at a temperature below 25°C and in a humidity-controlled environment to maintain its stability. Avoid exposure to moisture and air to prevent degradation.