Name: CX546 (1-(1,4-BENZODIOXAN-6-YLCARBONYL)P
SKU: 215923-54-9

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Basic Information

Molecular Structure:
CAS No.:	215923-54-9
Name:	CX546 (1-(1,4-BENZODIOXAN-6-YLCARBONYL)P
Article Data:	6

Formula:	C₁₄H₁₇NO₃
Molecular Weight:	247.294
Synonyms:	Piperidine,1-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]- (9CI);BDP 17;CX 546;GR 87;
Density:	1.215 g/cm³
Boiling Point:	422.8 °C at 760 mmHg
Flash Point:	209.5 °C
PSA:	38.77000
LogP:	2.02180

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Specification

The cas register number of CX-546 is 215923-54-9. It also can be called as 1-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidine and the Systematic name about this chemical is 2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone. This chemical is an ampakine drug developed by Cortex Pharmaceuticals.

Physical properties about CX-546 are: (1)ACD/LogP: 2.36; (2)ACD/LogD (pH 5.5): 2.36; (3)ACD/LogD (pH 7.4): 2.36; (4)ACD/BCF (pH 5.5): 36.83; (5)ACD/BCF (pH 7.4): 36.83; (6)ACD/KOC (pH 5.5): 459.98; (7)ACD/KOC (pH 7.4): 459.98; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 38.77Å²; (11)Index of Refraction: 1.573; (12)Molar Refractivity: 67.04 cm³; (13)Molar Volume: 203.4 cm³; (14)Polarizability: 26.57x10^-24cm³; (15)Surface Tension: 47.3 dyne/cm; (16)Enthalpy of Vaporization: 67.71 kJ/mol; (17)Boiling Point: 422.8 °C at 760 mmHg; (18)Vapour Pressure: 2.34E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc2OCCOc2c1)N3CCCCC3
(2)InChI: InChI=1/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2
(3)InChIKey: LJUNPHMOGNFFOS-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2
(5)Std. InChIKey: LJUNPHMOGNFFOS-UHFFFAOYSA-N