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68981-86-2

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Basic Information
CAS No.: 68981-86-2
Name: 4,5-DIHYDRO-4,4-DIMETHYL-2-(3-PYRIDYL)OXAZOLE
Article Data: 13
Molecular Structure:
Molecular Structure of 68981-86-2 (4,5-DIHYDRO-4,4-DIMETHYL-2-(3-PYRIDYL)OXAZOLE)
Formula: C10H12N2O
Molecular Weight: 176.218
Synonyms: 4,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)ox;4,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)oxazole;3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine;pyridine, 3-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-;
Density: 1.12 g/cm3
Melting Point: 25-27℃
Boiling Point: 284.7 ºC at 760 mmHg
Flash Point: 126 ºC
Hazard Symbols: Xi
PSA: 34.48000
LogP: 1.07260
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Specification

The 4,5-Dihydro-4,4-dimethyl-2-(pyrid-3-yl)oxazole, with the CAS registry number 68981-86-2, is also known as 4,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)ox. It belongs to the product category of Oxazole & Isoxazole. This chemical's molecular formula is C10H12N2O and formula weight is 176.22. What's more, its systematic name is 3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine.

Physical properties of 4,5-Dihydro-4,4-dimethyl-2-(pyrid-3-yl)oxazole are: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 6.5; (6)ACD/BCF (pH 7.4): 6.74; (7)ACD/KOC (pH 5.5): 131.41; (8)ACD/KOC (pH 7.4): 136.42; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.48 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 51.19 cm3; (15)Molar Volume: 156 cm3; (16)Surface Tension: 38.7 dyne/cm; (17)Density: 1.12 g/cm3; (18)Flash Point: 126 °C; (19)Enthalpy of Vaporization: 50.27 kJ/mol; (20)Boiling Point: 284.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00504 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N\1=C(\OCC/1(C)C)c2cnccc2
(2)InChI: InChI=1S/C10H12N2O/c1-10(2)7-13-9(12-10)8-4-3-5-11-6-8/h3-6H,7H2,1-2H3
(3)InChIKey: XYABHURTMBEOGW-UHFFFAOYSA-N