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CAS No.: | 70289-09-7 |
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Name: | 2-(dodecyloxy)pyridine |
Molecular Structure: | |
Formula: | C17H29NO |
Molecular Weight: | 263.423 |
Synonyms: | 2-(Dodecyloxy)pyridine;2-Dodecoxypyridine; |
EINECS: | 274-541-8 |
Density: | 0.913 g/cm3 |
Boiling Point: | 349.8 °C at 760 mmHg |
Flash Point: | 127.8 °C |
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The Pyridine, 2-(dodecyloxy)-, with the CAS registry number 70289-09-7, is also known as 2-(Dodecyloxy)pyridine. Its EINECS number is 274-541-8. This chemical's molecular formula is C17H29NO and molecular weight is 263.42. What's more, its IUPAC name is 2-dodecoxypyridine.
Physical properties of Pyridine, 2-(dodecyloxy)- are: (1)ACD/LogP: 7.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.15; (4)ACD/LogD (pH 7.4): 7.17; (5)ACD/BCF (pH 5.5): 158485.94; (6)ACD/BCF (pH 7.4): 165111.83; (7)ACD/KOC (pH 5.5): 181388.11; (8)ACD/KOC (pH 7.4): 188971.48; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 81.98 cm3; (15)Molar Volume: 288.2 cm3; (16)Polarizability: 32.5×10-24cm3; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 0.913 g/cm3; (19)Flash Point: 127.8 °C; (20)Enthalpy of Vaporization: 57.09 kJ/mol; (21)Boiling Point: 349.8 °C at 760 mmHg; (22)Vapour Pressure: 9.26E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCOC1=CC=CC=N1
(2)InChI: InChI=1S/C17H29NO/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18-17/h11-12,14-15H,2-10,13,16H2,1H3
(3)InChIKey: PQKOSPVOQVXHCT-UHFFFAOYSA-N