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Cas Database |
| Name |
(3-Fluoro-4-morpholin-4-ylphenyl)carbamic acid benzyl ester |
EINECS | 605-533-8 |
| CAS No. | 168828-81-7 | Density | 1.284 g/cm3 |
| PSA | 50.80000 | LogP | 3.54900 |
| Solubility | N/A | Melting Point |
123.0 to 127.0 °C |
| Formula | C18H19FN2O3 | Boiling Point | 451.8 °C at 760 mmHg |
| Molecular Weight | 330.359 | Flash Point | 227 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Carbamicacid, [3-fluoro-4-(4-morpholinyl)phenyl]-, phenylmethyl ester (9CI);Benzyl3-fluoro-4-(4-morpholinyl)phenylcarbamate;N-Benzyloxycarbonyl-3-fluoro-4-morpholinoaniline;[3-Fluoro-4-(4-morpholinyl)phenyl]carbamic acid phenylmethyl ester; |
Article Data | 22 |
(3-Fluoro-4-morpholin-4-ylphenyl)carbamic acid benzyl ester Specification
The (3-Fluoro-4-morpholin-4-ylphenyl)carbamic acid benzyl ester with its cas register number is 168828-81-7. It also can be called as Carbamic acid,N-[3-fluoro-4-(4-morpholinyl)phenyl]-, phenylmethyl ester and the Systematic name about this chemical is benzyl (3-fluoro-4-morpholin-4-ylphenyl)carbamate.
Physical properties about (3-Fluoro-4-morpholin-4-ylphenyl)carbamic acid benzyl ester are: (1)ACD/LogP: 2.87; (2)ACD/LogD (pH 5.5): 2.29; (3)ACD/LogD (pH 7.4): 2.85; (4)ACD/BCF (pH 5.5): 23.66; (5)ACD/BCF (pH 7.4): 85.95; (6)ACD/KOC (pH 5.5): 229.94; (7)ACD/KOC (pH 7.4): 835.39; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 42.01Å2; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 88.56 cm3; (14)Molar Volume: 257.1 cm3; (15)Polarizability: 35.1x10-24cm3; (16)Surface Tension: 53.2 dyne/cm; (17)Enthalpy of Vaporization: 71.09 kJ/mol; (18)Vapour Pressure: 2.36E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)Nc3cc(F)c(N2CCOCC2)cc3
(2)InChI: InChI=1/C18H19FN2O3/c19-16-12-15(6-7-17(16)21-8-10-23-11-9-21)20-18(22)24-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,22)
(3)InChIKey: XKGUZGHMWUIYDR-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C18H19FN2O3/c19-16-12-15(6-7-17(16)21-8-10-23-11-9-21)20-18(22)24-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,22)
(5)Std. InChIKey: XKGUZGHMWUIYDR-UHFFFAOYSA-N
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