CAS No.168828-81-7,N-BENZYLOXYCARBONYL-3-FLUORO-4-MORPHOLINOANILINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	168828-81-7
Name:	N-BENZYLOXYCARBONYL-3-FLUORO-4-MORPHOLINOANILINE
Article Data:	22

Formula:	C₁₈H₁₉FN₂O₃
Molecular Weight:	330.359
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;
EINECS:	605-533-8
Density:	1.284 g/cm³
Melting Point:	123.0 to 127.0 °C
Boiling Point:	451.8 °C at 760 mmHg
Flash Point:	227 °C
PSA:	50.80000
LogP:	3.54900

Raw Materials

350-31-2

501-53-1

369-34-6

100-00-5

Downstream Products

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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