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188987-72-6

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Basic Information
CAS No.: 188987-72-6
Name: 2,4-BIS(PIPERIDINO)-6-FLUOROPYRIMIDINE
Molecular Structure:
Molecular Structure of 188987-72-6 (2,4-BIS(PIPERIDINO)-6-FLUOROPYRIMIDINE)
Formula: C14H21FN4
Molecular Weight: 264.34
Synonyms: 4-Fluoro-2, 6-di-1-piperidinyl-pyrimidine;
Density: 1.176 g/cm3
Boiling Point: 438.8 °C at 760 mmHg
Flash Point: 219.2 °C
PSA: 32.26000
LogP: 2.72630
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Specification

The Pyrimidine, 4-fluoro-2, 6-di-1-piperidinyl-, with the CAS registry number 188987-72-6, is also known as 4-Fluoro-2, 6-di-1-piperidinyl-pyrimidine. This chemical's molecular formula is C14H21FN4 and molecular weight is 264.34. What's more, its systematic name is 4-Fluoro-2, 6-di(piperidin-1-yl)pyrimidine.

Physical properties about Pyrimidine, 4-fluoro-2, 6-di-1-piperidinyl- are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 2.28; (6)ACD/BCF (pH 7.4): 75.18; (7)ACD/KOC (pH 5.5): 18.95; (8)ACD/KOC (pH 7.4): 623.4; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.26 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 72.06 cm3; (15)Molar Volume: 224.6 cm3; (16)Polarizability: 28.56×10-24 cm3; (17)Surface Tension: 49.1 dyne/cm; (18)Density: 1.176 g/cm3; (19)Flash Point: 219.2 °C; (20)Enthalpy of Vaporization: 69.57 kJ/mol; (21)Boiling Point: 438.8 °C at 760 mmHg; (22)Vapour Pressure: 6.7E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc2nc(nc(N1CCCCC1)c2)N3CCCCC3
(2) InChI: InChI=1/C14H21FN4/c15-12-11-13(18-7-3-1-4-8-18)17-14(16-12)19-9-5-2-6-10-19/h11H,1-10H2
(3) InChIKey: WYCNOXLEUJTKSN-UHFFFAOYAD