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Name |
3-Oxazolidineethanol, a,5-dimethyl- |
EINECS | 244-609-1 |
CAS No. | 21838-80-2 | Density | 1.016 g/cm3 |
PSA | 32.70000 | LogP | -0.01670 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H15NO2 | Boiling Point | 223.4 °C at 760 mmHg |
Molecular Weight | 145.1995 | Flash Point | 88.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5,α-Dimethyloxazolidine-3-ethanol; |
The 3-Oxazolidineethanol, α,5-dimethyl-, with the CAS registry number of 21838-80-2, is also known as 5,α-Dimethyloxazolidine-3-ethanol. Its EINECS registry number is 244-609-1. This chemical's molecular formula is C7H15NO2 and molecular weight is 145.1995. What's more, its IUPAC name is 1-(5-Methyl-1,3-oxazolidin-3-yl)propan-2-ol.
Physical properties about the 3-Oxazolidineethanol, a,5-dimethyl- are: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.42; (4)ACD/LogD (pH 7.4): -0.05; (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): 19.11; (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: 1.46; (14)Molar Refractivity: 39.16 cm3; (15)Molar Volume: 142.7 cm3; (16)Surface Tension: 32.2 dyne/cm; (17)Density: 1.016 g/cm3; (18)Flash Point: 88.9 °C; (19)Enthalpy of Vaporization: 53.47 kJ/mol; (20)Boiling Point: 223.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0196 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(CN1CC(OC1)C)C
(2) InChI: InChI=1/C7H15NO2/c1-6(9)3-8-4-7(2)10-5-8/h6-7,9H,3-5H2,1-2H3
(3) InChIKey: AOMORPLAHSIXNB-UHFFFAOYAI