1,4-Diazepan-2-one

Basic Information

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CAS Number

99822-50-1

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

86-88 ºC

Boiling Point

308.8℃ at 760 mmHg

Density

1.012±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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C1CNCC(=O)NC1

InChI

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

InChIKey

DRRVROVYLJHJIV-UHFFFAOYSA-N

LogP

-0.9041000000000001

Topological Polar Surface Area

41.13 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

92.4

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

SY032794
CS-0067156
TS-01580
SCHEMBL88947
AKOS004115265
DTXSID40540531
1-(2-Thiazolyl)piperazinedihydrochloride
1,4-Diazepan-2-one, AldrichCPR
MFCD06804501
2H-1,4-DIAZEPIN-2-ONE, HEXAHYDRO-
FT-0659566
A846087
1 pound not4-Diazepan-2-one
1,4-diazepan-2-one
1,4-DIAZAPAN-2-ONE
AB30280
CS-W007153
AM804637
ZDA82250
DRRVROVYLJHJIV-UHFFFAOYSA-N
99822-50-1
perhydro-1,4-diazepin-2-one
EN300-65529
[1,4]Diazepan-2-one
1,4-Diazepan-2-one
1,4-Diazapan-2-one
2H-1,4-Diazepin-2-one,hexahydro-
hexahydro-2H-1,4-Diazepin-2-one
1,4-diazacycloheptan-2-one
1,4-diazapen-2-one
2H-1,4-DIAZEPIN-2-ONE,HEXAHYDRO

MDL Number

MFCD06804501

Customs Code

2933790090

FAQ

What regulatory guidelines apply to 1,4-Diazepan-2-one (CAS: 99822-50-1)?

1,4-Diazepan-2-one (CAS: 99822-50-1) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA/EPA requirements for the handling and use of chemicals. Specific data sheets and registration procedures are necessary for its safe handling and disposal.

Are there alternatives to 1,4-Diazepan-2-one (CAS: 99822-50-1) in synthesis?

Alternatives to 1,4-Diazepan-2-one (CAS: 99822-50-1) include various analogs and isomers such as 1,5-Diazepan-2-one and 1,3-Diazepan-2-one. Common alternative reagents include other heterocyclic compounds like pyridine derivatives, which can serve similar functional roles in certain synthetic pathways.

What is the market or research trend for 1,4-Diazepan-2-one (CAS: 99822-50-1)?

The market for 1,4-Diazepan-2-one (CAS: 99822-50-1) shows increasing interest in its applications in pharmaceuticals and agrochemicals due to its unique structural properties. Research trends indicate growing exploration into its use as a precursor in the synthesis of complex molecules and its potential in medicinal chemistry.

How should waste containing 1,4-Diazepan-2-one (CAS: 99822-50-1) be handled?

Waste containing 1,4-Diazepan-2-one (CAS: 99822-50-1) should be collected in appropriate containers and disposed of by incineration or professional waste disposal services. Environmental protection measures include ensuring proper ventilation and using personal protective equipment to minimize exposure and environmental contamination. Compliance with local and international waste management regulations is essential.