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Cas Database |
| Name |
(5R)-3,4,5,6-Tetrahydro-5-phenyl-4(H)-1,4-oxazin-2-one |
EINECS | N/A |
| CAS No. | 121269-45-2 | Density | 1.149 g/cm3 |
| PSA | 38.33000 | LogP | 1.20290 |
| Solubility | N/A | Melting Point |
53.5-54.5 °C |
| Formula | C10H11NO2 | Boiling Point | 364.33 °C at 760 mmHg |
| Molecular Weight | 177.203 | Flash Point | 174.141 °C |
| Transport Information | N/A | Appearance | White crystalline |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Morpholinone,5-phenyl-, (R)-;(R)-5-Phenylmorpholin-2-one;(5R)-3,4,5,6-Tetrahydro-5-phenyl-4(H)-1,4-oxazin-2-one;(5R)-5-Phenylmorpholin-2-one; |
Article Data | 4 |
(5R)-3,4,5,6-Tetrahydro-5-phenyl-4(H)-1,4-oxazin-2-one Specification
The 2-Morpholinone,5-phenyl-, (5R)- with CAS registry number of 121269-45-2 is also known as (5R)-3,4,5,6-Tetrahydro-5-phenyl-4(H)-1,4-oxazin-2-one. The systematic name is (5R)-5-Phenylmorpholin-2-one. In addition, the formula is C10H11NO2 and the molecular weight is 177.20.
Physical properties about 2-Morpholinone,5-phenyl-, (5R)- are: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5; (8)ACD/KOC (pH 7.4): 27; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.33Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 47.975 cm3; (15)Molar Volume: 154.212 cm3; (16)Polarizability: 19.019×10-24cm3; (17)Surface Tension: 39.302 dyne/cm; (18)Density: 1.149 g/cm3; (19)Flash Point: 174.141 °C; (20)Enthalpy of Vaporization: 61.05 kJ/mol; (21)Boiling Point: 364.33 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C
You can still convert the following datas into molecular structure:
1. SMILES: O=C2OC[C@@H](c1ccccc1)NC2
2. InChI: InChI=1/C10H11NO2/c12-10-6-11-9(7-13-10)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m0/s1
3. InChIKey: CMYHFJFAHHKICH-VIFPVBQEBY
4. Std. InChI: InChI=1S/C10H11NO2/c12-10-6-11-9(7-13-10)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m0/s1
5. Std. InChIKey: CMYHFJFAHHKICH-VIFPVBQESA-N
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