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CAS No.: | 123-57-9 |
---|---|
Name: | 3,5-DiMethylMorpholine |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H13NO |
Molecular Weight: | 115.175 |
Synonyms: | 3,5-Dimethylmorpholine;NSC 28666; |
Density: | 0.862g/cm3 |
Melting Point: | 202-203 °C(Solv: ethanol (64-17-5)) |
Boiling Point: | 150.8 °C at 760 mmHg |
Flash Point: | 50.1 °C |
PSA: | 21.26000 |
LogP: | 0.71200 |
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The Morpholine,3,5-dimethyl-, with CAS registry number 123-57-9, has the systematic name of 3,5-dimethylmorpholine. Its molecular weight is 115.1735. And the chemical formula of this chemical is C6H13NO.
Physical properties of Morpholine,3,5-dimethyl-: (1)ACD/LogP: -0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.08; (4)ACD/LogD (pH 7.4): -1.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.406; (14)Molar Refractivity: 32.81 cm3; (15)Molar Volume: 133.5 cm3; (16)Polarizability: 13×10-24cm3; (17)Surface Tension: 24.2 dyne/cm; (18)Density: 0.862 g/cm3; (19)Flash Point: 50.1 °C; (20)Enthalpy of Vaporization: 38.77 kJ/mol; (21)Boiling Point: 150.8 °C at 760 mmHg; (22)Vapour Pressure: 3.78 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1CC(NC(C)C1)C
(2)InChI: InChI=1/C6H13NO/c1-5-3-8-4-6(2)7-5/h5-7H,3-4H2,1-2H3
(3)InChIKey: MDKHWJFKHDRFFZ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H13NO/c1-5-3-8-4-6(2)7-5/h5-7H,3-4H2,1-2H3
(5)Std. InChIKey: MDKHWJFKHDRFFZ-UHFFFAOYSA-N