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CAS No.: | 63295-51-2 |
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Name: | alpha,2,6-trimethylmorpholin-4-ylethanol |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H19NO2 |
Molecular Weight: | 173.255 |
Synonyms: | alpha,2,6-Trimethylmorpholin-4-ylethanol; |
EINECS: | 264-080-0 |
Density: | 0.959 g/cm3 |
Boiling Point: | 252.6 °C at 760 mmHg |
Flash Point: | 106.6 °C |
PSA: | 32.70000 |
LogP: | 0.41430 |
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The 4-Morpholineethanol, a,2,6-trimethyl-, with the CAS registry number of 63295-51-2, is also known as alpha,2,6-Trimethylmorpholin-4-ylethanol. Its EINECS registry number is 264-080-0. Its molecular formula is C9H19NO2 and molecular weight is 173.25266. What's more, its IUPAC name is 1-(2,6-Dimethylmorpholin-4-yl)propan-2-ol.
Physical properties about the 4-Morpholineethanol, a,2,6-trimethyl- are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.01; (4)ACD/LogD (pH 7.4): 0.5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.24; (7)ACD/KOC (pH 5.5): 1.08; (8)ACD/KOC (pH 7.4): 34.88; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 48.48 cm3; (15)Molar Volume: 180.5 cm3; (16)Surface Tension: 28.8 dyne/cm; (17)Density: 0.959 g/cm3; (18)Flash Point: 106.6 °C; (19)Enthalpy of Vaporization: 56.93 kJ/mol; (20)Boiling Point: 252.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00297 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(CN1CC(OC(C)C1)C)C
(2) InChI: InChI=1/C9H19NO2/c1-7(11)4-10-5-8(2)12-9(3)6-10/h7-9,11H,4-6H2,1-3H3
(3) InChIKey: VTTSSRXYYVVNLI-UHFFFAOYAK