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CAS No.: | 55048-24-3 |
---|---|
Name: | 3-CHLORO-4-MORPHOLINOANILINE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C10H13ClN2O |
Molecular Weight: | 212.679 |
Synonyms: | 3-Chloro-(4-morpholin-4-yl)phenylamine;3-Chloro-4-(4-morpholinyl)aniline;3-Chloro-4-morpholinoaniline;4-(4-Amino-2-chlorophenyl)morpholine;N-(4-Amino-2-chlorophenyl)morpholine; |
EINECS: | 259-456-6 |
Density: | 1.273 g/cm3 |
Melting Point: | 102 °C |
Boiling Point: | 399.1 °C at 760 mmHg |
Flash Point: | 195.2 °C |
Hazard Symbols: | Xi |
PSA: | 38.49000 |
LogP: | 2.40500 |
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The Benzenamine,3-chloro-4-(4-morpholinyl)-, with CAS registry number 55048-24-3, has the systematic name of 3-chloro-4-(morpholin-4-yl)aniline. Besides this, it is also called 3-Chloro-4-morpholinoaniline. And the chemical formula of this chemical is C10H13ClN2O. What's more, its EINECS is 259-456-6.
Physical properties of Benzenamine,3-chloro-4-(4-morpholinyl)-: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.57; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 1.07; (6)ACD/BCF (pH 7.4): 5.56; (7)ACD/KOC (pH 5.5): 22.45; (8)ACD/KOC (pH 7.4): 116.92; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 15.71 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 57.19 cm3; (15)Molar Volume: 166.9 cm3; (16)Polarizability: 22.67×10-24cm3; (17)Surface Tension: 50.9 dyne/cm; (18)Density: 1.273 g/cm3; (19)Flash Point: 195.2 °C; (20)Enthalpy of Vaporization: 64.98 kJ/mol; (21)Boiling Point: 399.1 °C at 760 mmHg; (22)Vapour Pressure: 1.41E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(N)ccc1N2CCOCC2
(2)InChI: InChI=1/C10H13ClN2O/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
(3)InChIKey: BBUAXVLPFRRBQR-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H13ClN2O/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: BBUAXVLPFRRBQR-UHFFFAOYSA-N