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33354-75-5

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Basic Information
CAS No.: 33354-75-5
Name: 4',4,4''-TRIMETHYL-2,2':6',2''-TERPYRIDINE
Article Data: 3
Molecular Structure:
Molecular Structure of 33354-75-5 (4',4,4''-TRIMETHYL-2,2':6',2''-TERPYRIDINE)
Formula: C18H17N3
Molecular Weight: 275.353
Synonyms: 2,2':6',2''-Ter-4-picoline(8CI);4,4',4''-Trimethyl-2,2':6',2''-terpyridine;2,2':6',2''-Terpyridine,4,4',4''-trimethyl- (9CI);2,2':6',2''-Ter-4-picoline;
Density: 1.108 g/cm3
Boiling Point: 422.5 °C at 760 mmHg
Flash Point: 183.9 °C
PSA: 38.67000
LogP: 4.13080
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Specification

The 2,2':6',2''-Terpyridine, 4,4',4''-trimethyl-, with the CAS registry number 33354-75-5, is also known as 2,2':6',2''-Ter-4-picoline. This chemical's molecular formula is C18H17N3 and molecular weight is 275.35. What's more, its systematic name is 4,4',4''-trimethyl-2,2':6',2''-terpyridine.

Physical properties of 2,2':6',2''-Terpyridine, 4,4',4''-trimethyl- are: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.5; (5)ACD/BCF (pH 5.5): 146.58; (6)ACD/BCF (pH 7.4): 270.63; (7)ACD/KOC (pH 5.5): 1035.56; (8)ACD/KOC (pH 7.4): 1911.9; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.67 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 84.18 cm3; (15)Molar Volume: 248.4 cm3; (16)Polarizability: 33.37×10-24cm3; (17)Surface Tension: 46.6 dyne/cm; (18)Density: 1.108 g/cm3; (19)Flash Point: 183.9 °C; (20)Enthalpy of Vaporization: 65.05 kJ/mol; (21)Boiling Point: 422.5 °C at 760 mmHg; (22)Vapour Pressure: 5.91E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccnc(c1)c2cc(cc(n2)c3cc(ccn3)C)C
(2)InChI: InChI=1S/C18H17N3/c1-12-4-6-19-15(8-12)17-10-14(3)11-18(21-17)16-9-13(2)5-7-20-16/h4-11H,1-3H3
(3)InChIKey: VEOPFEPGENIUIA-UHFFFAOYSA-N