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CAS No.: | 100369-95-7 |
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Name: | 2-(4-METHOXY-PHENYL)-3-METHYL-MORPHOLINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C12H17NO2 |
Molecular Weight: | 207.272 |
Synonyms: | Morpholine,2-(p-methoxyphenyl)-3-methyl- (6CI); |
Density: | 1.0±0.1 g/cm3 |
Boiling Point: | 327.4±37.0 °C at 760 mmHg |
Flash Point: | 132.1±16.0 °C |
PSA: | 30.49000 |
LogP: | 2.07340 |
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The Morpholine,2-(4-methoxyphenyl)-3-methyl-, with the CAS registry number 100369-95-7, is also known as 2-(4-Methoxy-phenyl)-3-methyl-morpholine. This chemical's molecular formula is C12H17NO2 and molecular weight is 207.27. What's more, both its IUPAC name and systematic name are the same which is called 2-(4-Methoxyphenyl)-3-methylmorpholine.
Physical properties about Morpholine,2-(4-methoxyphenyl)-3-methyl- are: (1)ACD/LogP: 1.44±0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.36; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 8.41; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 30.49 Å2; (13)Index of Refraction: 1.499; (14)Molar Refractivity: 59.2±0.3 cm3; (15)Molar Volume: 201.7±3.0 cm3; (16)Polarizability: 23.5±0.5×10-24cm3; (17)Surface Tension: 34.0±3.0 dyne/cm; (18)Density: 1.0±0.1 g/cm3; (19)Flash Point: 132.1±16.0 °C; (20)Enthalpy of Vaporization: 57.0±3.0 kJ/mol; (21)Boiling Point: 327.4±37.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±0.7 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC1C(OCCN1)c2ccc(cc2)OC
(2) InChI: InChI=1S/C12H17NO2/c1-9-12(15-8-7-13-9)10-3-5-11(14-2)6-4-10/h3-6,9,12-13H,7-8H2,1-2H3
(3) InChIKey: BHRUEGUXZCYUBO-UHFFFAOYSA-N