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2,3,6,7-Tetrahydro-(1H)-1,4-diazepin-5(4H)-one

Catalog No: FT-0639186

CAS No: 34376-54-0

Chemical Name: 2,3,6,7-Tetrahydro-(1H)-1,4-diazepin-5(4H)-one
Molecular Formula: C5H10N2O
Molecular Weight: 114.15
InChI Key: QPPLBCQXWDBQFS-UHFFFAOYSA-N
InChI: InChI=1S/C5H10N2O/c8-5-1-2-6-3-4-7-5/h6H,1-4H2,(H,7,8)

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	1,4-Diazepan-5-one
Flash_Point:	159.5±26.1 °C
Melting_Point:	65-68
FW:	114.146
Density:	1.0±0.1 g/cm3
CAS:	34376-54-0
Bolling_Point:	308.8±35.0 °C at 760 mmHg
MF:	C5H10N2O

Flash_Point:	159.5±26.1 °C
Refractive_Index:	1.443
FW:	114.146
Density:	1.0±0.1 g/cm3
Bolling_Point:	308.8±35.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :-12 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :0 ', '5. Isotope Atom Count :3 ', '6. TPSA 411 ', '7. Heavy Atom Count :8 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :924 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
LogP:	-1.83
Melting_Point:	65-68
PSA:	41.13000
MF:	C5H10N2O
More_Info:	['1 . Appearance 带White 的Solid ', '2 . Density（g/mL,20℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）65-68 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
Vapor_Pressure:	0.0±0.7 mmHg at 25°C
Exact_Mass:	114.079315