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| CAS No.: | 10341-26-1 |
|---|---|
| Name: | 1,4-Oxazepan-5-one |
| Molecular Structure: | |
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| Formula: | C5H9NO2 |
| Molecular Weight: | 115.132 |
| Synonyms: | 1,4-Oxazepan-5-one;5-Oxohomomorpholine;Homomorpholin-5-one;Tetrahydro-1,4-oxazepin-5(2H)-one; |
| Density: | 1.068 g/cm3 |
| Melting Point: | 80-82 °C |
| Boiling Point: | 311.1 °C at 760 mmHg |
| Flash Point: | 142 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 38.33000 |
| LogP: | -0.14830 |
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Specification
The 1,4-Oxazepin-5(2H)-one,tetrahydro-, with the CAS registry number 10341-26-1, is also known as Tetrahydro-1,4-oxazepin-5(2H)-one. This chemical's molecular formula is C5H9NO2 and molecular weight is 115.13. What's more, its systematic name is 1,4-oxazepan-5-one. It should be sealed and stored in a cool and dry place.
Physical properties of 1,4-Oxazepin-5(2H)-one,tetrahydro- are: (1)ACD/LogP: -1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.87; (4)ACD/LogD (pH 7.4): -1.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.29; (8)ACD/KOC (pH 7.4): 2.29; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 28.14 cm3; (15)Molar Volume: 107.7 cm3; (16)Polarizability: 11.15×10-24cm3; (17)Surface Tension: 31 dyne/cm; (18)Density: 1.068 g/cm3; (19)Flash Point: 142 °C; (20)Enthalpy of Vaporization: 55.2 kJ/mol; (21)Boiling Point: 311.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000574 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NCCOCC1
(2)InChI: InChI=1S/C5H9NO2/c7-5-1-3-8-4-2-6-5/h1-4H2,(H,6,7)
(3)InChIKey: OXDIYMHNQAWSCL-UHFFFAOYSA-N