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CAS No.: | 470463-42-4 |
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Name: | 4-(5-IODO-PYRIDIN-2-YL)-MORPHOLINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H11IN2O |
Molecular Weight: | 290.104 |
Synonyms: | 5-Iodo-2-morpholin-4-ylpyridine; |
Density: | 1.726 g/cm3 |
Melting Point: | 130 °C |
Boiling Point: | 385.3 °C at 760 mmHg |
Flash Point: | 186.9 °C |
Hazard Symbols: | Xi |
Transport Information: | UN 2811 |
PSA: | 25.36000 |
LogP: | 1.58780 |
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The 4-(5-Iodo-1H-pyridin-2-yl)morpholine, with the CAS registry number of 470463-42-4, is also known as 6-Morpholin-3-iodopyridine. This chemical's molecular formula is C9H11IN2O and molecular weight is 290.1. What's more, its IUPAC name is 4-(5-Iodopyridin-2-yl)morpholine. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be avoided contact with oxidant, light.
Physical properties about 4-(5-Iodo-1H-pyridin-2-yl)morpholine are: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 3.36; (6)ACD/BCF (pH 7.4): 15.18; (7)ACD/KOC (pH 5.5): 53.2; (8)ACD/KOC (pH 7.4): 240.66; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.36 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 59.06 cm3; (15)Molar Volume: 168 cm3; (16)Surface Tension: 51.6 dyne/cm; (17)Density: 1.726 g/cm3; (18)Flash Point: 186.9 °C; (19)Enthalpy of Vaporization: 63.41 kJ/mol; (20)Boiling Point: 385.3 °C at 760 mmHg; (21)Vapour Pressure: 3.83E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Ic2cnc(N1CCOCC1)cc2
(2) InChI: InChI=1/C9H11IN2O/c10-8-1-2-9(11-7-8)12-3-5-13-6-4-12/h1-2,7H,3-6H2
(3) InChIKey: RBMHFKCAFPUVRT-UHFFFAOYAE