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Name |
2,2':6',2''-Terpyridine,4'-methyl- |
EINECS | N/A |
CAS No. | 72036-41-0 | Density | 1.145 g/cm3 |
PSA | 38.67000 | LogP | 3.51400 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H13N3 | Boiling Point | 401.464 °C at 760 mmHg |
Molecular Weight | 247.299 | Flash Point | 178.511 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4'-Methyl-2,2':6',2''-terpyridine; |
Article Data | 10 |
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