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CAS No.: | 28770-01-6 |
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Name: | 3-Oxazolidineethanol,2-(1-methylethyl)-(9CI) |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H17NO2 |
Molecular Weight: | 159.228 |
Synonyms: | 3-Oxazolidineethanol,2-isopropyl- (8CI);2-Isopropyl-1,3-oxazolidine-3-ethanol;2-Isopropyl-3-(2-hydroxyethyl)-1,3-oxazolidine;2-Isopropyl-3-(2-hydroxyethyl)oxazolidine;2-Isopropyl-3-oxazolidineethanol;3-(2-Hydroxyethyl)-2-isopropyloxazolidine;Incozol 3;N-(2-Hydroxyethyl)-2-isopropyl-1,3-oxazolidine;N-(2-Hydroxyethyl)-2-isopropyloxazolidine; |
Density: | 1.008 g/cm3 |
Boiling Point: | 241.805 °C at 760 mmHg |
Flash Point: | 100.041 °C |
Solubility: | 612g/L at 25℃ |
PSA: | 32.70000 |
LogP: | 0.23090 |
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The 3-Oxazolidineethanol,2-(1-methylethyl)-, with the CAS registry number 28770-01-6, is also known as 2-(2-Isopropyl-1,3-oxazolidin-3-yl)ethanol. It belongs to the product category of Isopropyl. This chemical's molecular formula is C8H17NO2 and molecular weight is 159.23. What's more, its IUPAC name is called 2-(2-Propan-2-yl-1,3-oxazolidin-3-yl)ethanol.
Physical properties about 3-Oxazolidineethanol,2-(1-methylethyl)- are: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.83; (4)ACD/LogD (pH 7.4): 0.22; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.66; (8)ACD/KOC (pH 7.4): 29.45; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.7 Å2; (13)Index of Refraction: 1.466; (14)Molar Refractivity: 43.733 cm3; (15)Molar Volume: 158.01 cm3; (16)Polarizability: 17.337×10-24 cm3; (17)Surface Tension: 33.602 dyne/cm; (18)Density: 1.008 g/cm3; (19)Flash Point: 100.041 °C; (20)Enthalpy of Vaporization: 55.638 kJ/mol; (21)Boiling Point: 241.805 °C at 760 mmHg; (22)Vapour Pressure: 0.00600 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCCN1CCOC1C(C)C
(2) InChI: InChI=1S/C8H17NO2/c1-7(2)8-9(3-5-10)4-6-11-8/h7-8,10H,3-6H2,1-2H3
(3) InChIKey: DZARITHRMKPIQB-UHFFFAOYSA-N