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CAS No.: | 316800-48-3 |
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Name: | 4',6,6''-TRIMETHYL-2,2':6',2''-TERPYRIDINE |
Molecular Structure: | |
Formula: | C18H17N3 |
Molecular Weight: | 275.353 |
Synonyms: | 4',6,6''-Trimethyl-2,2':6',2''-terpyridin; |
Density: | 1.108 g/cm3 |
Boiling Point: | 397.2 °C at 760 mmHg |
Flash Point: | 169.3 °C |
PSA: | 38.67000 |
LogP: | 4.13080 |
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The 2,2':6',2''-Terpyridine,4',6,6''-trimethyl- (9CI), with the CAS registry number 316800-48-3, is also known as 4',6,6''-Trimethyl-2,2':6',2''-terpyridin. This chemical's molecular formula is C18H17N3 and molecular weight is 275.35. Its systematic name is called 4',6,6''-Trimethyl-2,2':6',2''-terpyridine.
Physical properties of 2,2':6',2''-Terpyridine,4',6,6''-trimethyl- (9CI): (1)ACD/LogP: 3.51; (2)ACD/LogD (pH 5.5): 3.2; (3)ACD/LogD (pH 7.4): 3.5; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 2; (6)Index of Refraction: 1.592; (7)Molar Refractivity: 84.18 cm3; (8)Molar Volume: 248.4 cm3; (9)Surface Tension: 46.6 dyne/cm; (10)Density: 1.108 g/cm3; (11)Flash Point: 169.3 °C; (12)Enthalpy of Vaporization: 62.24 kJ/mol; (13)Boiling Point: 397.2 °C at 760 mmHg; (14)Vapour Pressure: 3.7E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc(n1)c2cc(cc(n2)c3cccc(n3)C)C
(2)InChI: InChI=1/C18H17N3/c1-12-10-17(15-8-4-6-13(2)19-15)21-18(11-12)16-9-5-7-14(3)20-16/h4-11H,1-3H3
(3)InChIKey: FPRVNCMHEUJYIX-UHFFFAOYAJ