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CAS No.: | 39986-37-3 |
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Name: | 2,4-DIMETHYL-4-HYDROXYMETHYL-2-OXAZOLINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H11NO2 |
Molecular Weight: | 129.159 |
Synonyms: | 2-Oxazoline-4-methanol,2,4-dimethyl- (6CI);(2,4-Dimethyl-4,5-dihydrooxazol-4-yl)methanol;2,4-Dimethyl-2-oxazoline-4-methanol;2,4-Dimethyl-4-hydroxymethyl-2-oxazoline;NSC 74297; |
EINECS: | 254-734-3 |
Density: | 1.14 g/cm3 |
Melting Point: | 30-31℃ |
Boiling Point: | 189 °C at 760 mmHg |
Flash Point: | 68.1 °C |
PSA: | 41.82000 |
LogP: | -0.37840 |
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The 4-Oxazolemethanol,4,5-dihydro-2,4-dimethyl-, with the CAS registry number 39986-37-3, is also known as 4,5-Dihydro-2,4-dimethyl-4-oxazolemethanol. Its molecular formula is C6H11NO2 and its molecular weight is 129.16. Additionally, the IUPAC name of this chemical is (2,4-dimethyl-5H-1,3-oxazol-4-yl)methanol.
Other characteristics of the 4-Oxazolemethanol,4,5-dihydro-2,4-dimethyl- can be summarised as followings: (1)ACD/LogP: -1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.22; (4)ACD/LogD (pH 7.4): -1.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.4; (8)ACD/KOC (pH 7.4): 6.29; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 30.82 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 33.1 cm3; (15)Molar Volume: 112.4 cm3; (16)Polarizability: 13.12×10-24cm3; (17)Surface Tension: 36 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 68.1 °C; (20)Enthalpy of Vaporization: 49.49 kJ/mol; (21)Boiling Point: 189 °C at 760 mmHg; (22)Vapour Pressure: 0.16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OCC1(/N=C(\OC1)C)C
2.InChI: InChI=1/C6H11NO2/c1-5-7-6(2,3-8)4-9-5/h8H,3-4H2,1-2H3
3.InChIKey: YWLSGHOSSUXBJK-UHFFFAOYAA