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126533-96-8

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Basic Information
CAS No.: 126533-96-8
Name: (2-Morpholino-1,3-thiazol-4-yl)methanol
Article Data: 5
Molecular Structure:
Molecular Structure of 126533-96-8 ((2-Morpholino-1,3-thiazol-4-yl)methanol)
Formula: C8H12N2O2S
Molecular Weight: 200.261
Synonyms: 2-(4-Morpholinyl)-4-(hydroxymethyl)thiazole;2-Morpholinothiazol-4-ylmethanol;
Density: 1.341 g/cm3
Melting Point: 118.5 °C
Boiling Point: 385.579 °C at 760 mmHg
Flash Point: 187 °C
Risk Codes:  Harmful:;
">  Harmful:;
PSA: 73.83000
LogP: 0.53700
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Specification

The 4-Thiazolemethanol, 2-(4-morpholinyl)-, with the CAS registry number of 126533-96-8, is also known as 4-(Hydroxymethyl)-2-(morpholin-4-yl)-1, 3-thiazole. This chemical's molecular formula is C8H12N2O2S and molecular weight is 200.25808. What's more, its systematic name is called (2-Morpholin-4-yl-1, 3-thiazol-4-yl)methanol.

Physical properties about 4-Thiazolemethanol, 2-(4-morpholinyl)- are: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 4; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 73.83 Å2; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 50.99 cm3; (15)Molar Volume: 149.264 cm3; (16)Surface Tension: 60.783 dyne/cm; (17)Density: 1.342 g/cm3; (18)Flash Point: 186.992 °C; (19)Enthalpy of Vaporization: 66.915 kJ/mol; (20)Boiling Point: 385.579 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O2CCN(c1nc(cs1)CO)CC2
(2) InChI: InChI=1/C8H12N2O2S/c11-5-7-6-13-8(9-7)10-1-3-12-4-2-10/h6,11H,1-5H2
(3) InChIKey: QJKKFCRFBAXDQE-UHFFFAOYAO