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CAS No.: | 72036-41-0 |
---|---|
Name: | 4'-METHYL-2,2':6',2''-TERPYRIDINE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C16H13N3 |
Molecular Weight: | 247.299 |
Synonyms: | 4'-Methyl-2,2':6',2''-terpyridine; |
Density: | 1.145 g/cm3 |
Boiling Point: | 401.464 °C at 760 mmHg |
Flash Point: | 178.511 °C |
PSA: | 38.67000 |
LogP: | 3.51400 |
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The 2,2':6',2''-Terpyridine,4'-methyl-, also known as 4'-Methyl-2,2':6',2''-terpyridin, is the organic compound with the formula C16H13N3. With the CAS registry number 72036-41-0, its systematic name is called 4'-methyl-2,2':6',2''-terpyridine.
Physical properties of 2,2':6',2''-Terpyridine,4'-methyl-: (1)ACD/LogP: 2.67; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 48; (5)ACD/BCF (pH 7.4): 55; (6)ACD/KOC (pH 5.5): 538; (7)ACD/KOC (pH 7.4): 609; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.607; (11)Molar Refractivity: 74.535 cm3; (12)Molar Volume: 215.949 cm3; (13)Surface Tension: 49.943 dyne/cm; (14)Density: 1.145 g/cm3; (15)Flash Point: 178.511 °C; (16)Enthalpy of Vaporization: 62.706 kJ/mol; (17)Boiling Point: 401.464 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(nc(c1)c2ccccn2)c3ccccn3
(2)InChI: InChI=1/C16H13N3/c1-12-10-15(13-6-2-4-8-17-13)19-16(11-12)14-7-3-5-9-18-14/h2-11H,1H3
(3)InChIKey: UZUDKOHDONKQCH-UHFFFAOYAD