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Name |
2,2':6',2''-Terpyridine,4'-methoxy- (9CI) |
EINECS | N/A |
CAS No. | 181866-50-2 | Density | 1.177 g/cm3 |
PSA | 47.90000 | LogP | 3.21420 |
Solubility | N/A | Melting Point |
56-57 °C |
Formula | C16H13N3O | Boiling Point | 420.394 °C at 760 mmHg |
Molecular Weight | 263.299 | Flash Point | 151.827 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4'-Methoxy-2,2':6',2''-terpyridine; |
Article Data | 3 |
The 2,2':6',2''-Terpyridine,4'-methoxy- (9CI), also known as 4'-Methoxy-2,2':6',2''-terpyridine, is the organic compound with the formula C16H13N3O. With the CAS registry number 181866-50-2, its systematic name is called 4'-methoxy-2,2':6',2''-terpyridine.
Physical properties of 2,2':6',2''-Terpyridine,4'-methoxy- (9CI): (1)ACD/LogP: 1.67; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 20; (5)ACD/BCF (pH 7.4): 23; (6)ACD/KOC (pH 5.5): 282; (7)ACD/KOC (pH 7.4): 331; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.599; (11)Molar Refractivity: 76.389 cm3; (12)Molar Volume: 223.676 cm3; (13)Surface Tension: 49.435 dyne/cm; (14)Density: 1.177 g/cm3; (15)Flash Point: 151.827 °C; (16)Enthalpy of Vaporization: 64.811 kJ/mol; (17)Boiling Point: 420.394 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(nc(c1)c2ccccn2)c3ccccn3
(2)InChI: InChI=1/C16H13N3O/c1-20-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14/h2-11H,1H3
(3)InChIKey: PUYDFMFBJXKHSQ-UHFFFAOYAN