1,4-Diazepan-5-one

Basic Information

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CAS Number

34376-54-0

Molecular Formula

C5H10N2O

Molecular Weight

114.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

65-68

SMILES

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C1CNCCNC1=O

InChI

InChI=1S/C5H10N2O/c8-5-1-2-6-3-4-7-5/h6H,1-4H2,(H,7,8)

InChIKey

QPPLBCQXWDBQFS-UHFFFAOYSA-N

LogP

-0.9041000000000001

Topological Polar Surface Area

41.129999999999995 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

92.4

Safety Information

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Hazard Statement

Hazard Class

Class HYGROSCOPIC Class HYGROSCOPIC

Synonyms & References

English

34376-54-0
AKOS000122805
1,4-diazepan-5-one
Peakdale1_000765
[1,4]-diazepan-5-one
homopiperazin-5-one
hexahydro-1H-1,4-diazepin-5-one
AB00982368-01
5H-1,4-DIAZEPIN-5-ONE, HEXAHYDRO-
SY075066
CS-W011246
HMS520C17
2,3,6,7-tetrahydro-(1h)-1,4-diazepin-5-(4h)-one
2,3,4,5,6,7-hexahydro-1H-1,4-diazepin-5-one
DTXSID50371954
AM85736
1,4-Diazepan-5-one, AldrichCPR
FT-0639186
[1,4]Diazepan-5-one
QPPLBCQXWDBQFS-UHFFFAOYSA-N
ZH0040
A6051
2,3,6,7-tetrahydro-(1h)-1,4-diazepin-5(4h)-one
J-503978
MFCD00766804
PS-6164
EN300-30392
BCP32302
2,3,6,7-Tetrahydro-1H-1,4-diazepin-5(4H)-one
SCHEMBL89391
1,4-Diazepan-5-one;Homopiperazin-5-one

MDL Number

MFCD00766804

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 1,4-Diazepan-5-one (CAS: 34376-54-0)?

1,4-Diazepan-5-one (CAS: 34376-54-0) falls under the regulatory guidelines of the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), covering health hazards, flammability, and reactivity. In the EU, REACH regulations also apply, mandating detailed registration and safety information. FDA and EPA regulations govern its use in pharmaceuticals and environmental releases.

Are there alternatives to 1,4-Diazepan-5-one in synthesis (CAS: 34376-54-0)?

For synthesizing related compounds, alternatives like 1,4-diazepan-2-one or other heterocyclic compounds can be considered. Common reagents such as azide and aldehyde can be used as substitutes. Isomers like 1,3-diazepan-5-one might also serve as viable alternatives depending on the specific application.

What is the market or research trend for 1,4-Diazepan-5-one (CAS: 34376-54-0)?

The market for 1,4-Diazepan-5-one (CAS: 34376-54-0) is growing due to its use in pharmaceuticals and agrochemicals. Research trends focus on its applications in drug design and synthesis of heterocyclic compounds. Studies are exploring its potential in treating neurological disorders. Market trends indicate increasing demand driven by pharmaceutical innovation.

How should waste containing 1,4-Diazepan-5-one (CAS: 34376-54-0) be handled?

Waste containing 1,4-Diazepan-5-one (CAS: 34376-54-0) should be collected in sealed containers and disposed of through professional waste disposal services. Incineration is an effective method, provided it meets environmental regulations. Handling should be done in a well-ventilated area to avoid inhalation of vapors. Environmental protection measures include minimizing the release of waste into the environment and adhering to local disposal regulations.