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CAS No.: | 93246-53-8 |
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Name: | 3-FLUORO-4-MORPHOLIN-4-YL-PHENYLAMINE |
Article Data: | 73 |
Molecular Structure: | |
Formula: | C10H13FN2O |
Molecular Weight: | 196.224 |
Synonyms: | 3-Fluoro-4-(4-morpholinyl)aniline;3-Fluoro-4-(morpholin-4-yl)phenylamine;N-(4-Amino-2-fluorophenyl)morpholine;3-Fluoro-4-(morpholin-4-yl)aniline;AC1LSBHX;AC1Q51OG; |
EINECS: | 676-003-1 |
Density: | 1.232 g/cm3 |
Melting Point: | 121-123 °C |
Boiling Point: | 364.9 °C at 760 mmHg |
Flash Point: | 174.5 °C |
Appearance: | brown solid |
PSA: | 38.49000 |
LogP: | 1.89070 |
The 3-Fluoro-4-morpholinoaniline with CAS registry number of 93246-53-8 is also known as Benzenamine,3-fluoro-4-(4-morpholinyl)-. The IUPAC name is 3-Fluoro-4-morpholin-4-ylaniline. In addition, the formula is C10H13FN2O and the molecular weight is 196.22.
Physical properties about 3-Fluoro-4-morpholinoaniline are: (1)ACD/LogP: 0.84; (2)ACD/LogD (pH 7.4): 0.76; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 2.14; (5)ACD/KOC (pH 5.5): 4.4; (6)ACD/KOC (pH 7.4): 57.09; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.57; (11)Molar Refractivity: 52.29 cm3; (12)Molar Volume: 159.2 cm3; (13)Surface Tension: 46.7 dyne/cm; (14)Density: 1.232 g/cm3; (15)Flash Point: 174.5 °C; (16)Enthalpy of Vaporization: 61.11 kJ/mol; (17)Boiling Point: 364.9 °C at 760 mmHg; (18)Vapour Pressure: 1.63E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: Fc1cc(N)ccc1N2CCOCC2
2. InChI: InChI=1/C10H13FN2O/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
3. InChIKey: FQGIBHQUVCGEAC-UHFFFAOYAX
4. Std. InChI: InChI=1S/C10H13FN2O/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
5. Std. InChIKey: FQGIBHQUVCGEAC-UHFFFAOYSA-N