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CAS No.: | 482308-06-5 |
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Name: | ASISCHEM A93504 |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C11H16N2O2 |
Molecular Weight: | 208.26 |
Synonyms: | Benzenamine, 3-methoxy-4-(4-morpholinyl)-; |
Density: | 1.163 g/cm3 |
Boiling Point: | 411.054 °C at 760 mmHg |
Flash Point: | 202.398 °C |
PSA: | 47.72000 |
LogP: | 1.76020 |
The 3-Methoxy-4-morpholinoaniline, with the CAS registry number 482308-06-5, is also known as Benzenamine, 3-methoxy-4-(4-morpholinyl)-. This chemical's molecular formula is C11H16N2O2 and molecular weight is 208.2569. What's more, both its IUPAC name and systematic name are the same which is called 3-Methoxy-4-(morpholin-4-yl)aniline.
Physical properties about 3-Methoxy-4-morpholinoaniline are: (1)ACD/LogP: 0.99; (2)#of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 9; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 47.72Å2; (11)Index of Refraction: 1.573; (12)Molar Refractivity: 58.977 cm3; (13)Molar Volume: 179.027 cm3; (14)Surface Tension: 46.55 dyne/cm; (15)Density: 1.163 g/cm3; (16)Flash Point: 202.398 °C; (17)Enthalpy of Vaporization: 66.347 kJ/mol; (18)Boiling Point: 411.054 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Nc1cc(OC)c(cc1)N2CCOCC2
(2) InChI: InChI=1/C11H16N2O2/c1-14-11-8-9(12)2-3-10(11)13-4-6-15-7-5-13/h2-3,8H,4-7,12H2,1H3
(3) InChIKey: BRTDKJDVVFXVQK-UHFFFAOYAM