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| CAS No.: | 109-11-5 |
|---|---|
| Name: | morpholin-3-one |
| Article Data: | 27 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H7NO2 |
| Molecular Weight: | 101.105 |
| Synonyms: | 3-Oxomorpholine;NSC 11688;3-Morpholinone; |
| EINECS: | 203-647-9 |
| Density: | 1.122 g/cm3 |
| Melting Point: | 104-106℃ |
| Boiling Point: | 313 °C at 760 mmHg |
| Flash Point: | 143.1 °C |
| Hazard Symbols: |
 T, Xi
|
| Risk Codes: | R22; R45; R50/53 |
| Safety: | 24/25 |
| PSA: | 38.33000 |
| LogP: | -0.53840 |
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Specification
The IUPAC name of this chemical is Morpholin-3-one. With the CAS registry number 109-11-5 and EINECS registry number 203-647-9, it is also named as 3-ketomorpholine. In addition, the molecular formula is C4H7NO2 and the molecular weight is 101.10. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about Morpholin-3-one are: (1)ACD/LogP: -2.23; (2)ACD/LogD (pH 5.5): -2.23; (3)ACD/LogD (pH 7.4): -2.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.46; (7)ACD/KOC (pH 7.4): 1.46; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.435; (12)Molar Refractivity: 23.53 cm3; (13)Molar Volume: 90 cm3; (14)Polarizability: 9.32 ×10-24cm3; (15)Surface Tension: 32.1 dyne/cm; (16)Density: 1.122 g/cm3; (17)Flash Point: 143.1 °C; (18)Enthalpy of Vaporization: 55.4 kJ/mol; (19)Boiling Point: 313 °C at 760 mmHg; (20)Vapour Pressure: 0.000512 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NCCOC1
(2)Std. InChI: InChI=1S/C4H7NO2/c6-4-3-7-2-1-5-4/h1-3H2,(H,5,6)
(3)Std. InChIKey: VSEAAEQOQBMPQF-UHFFFAOYSA-N
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