5,6,14,15-Dibenzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane supplier

Name
5,6,14,15-DIBENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOSANE
EINECS 254-936-1
CAS No. 40471-97-4
Article Data5
CAS DataBase
Density 1.21 g/cm³
Solubility
Melting Point
Formula C₂₆H₃₆N₂O₆
Boiling Point 599.3 °C at 760 mmHg
Molecular Weight 472.582
Flash Point 161.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6,7,9,10,17,18,20,21-Octahydro-8,19-(ethanoxyethanoxyethano)-8H,19H-dibenzo(b,k)(1,4,10,13,7,16)tetraoxadiazacyclooctadecine;8,19-(Ethanoxyethanoxyethano)-8H,19H-dibenzo- [b,k][1,4,10,13,7,16]tetraoxadiazacyclooctadecine,6,7,9,10,17,18,20,21-octahydro-;6,7,9,10,17,18,20,21-Octahydro-8,19-(ethanoxyethanoxyethano)-8H,19H-dibenzo(b,k)(1,4,10,13,7,16)tetraoxadiazacyclooctadecine;
PSA 61.86000
LogP 2.44220

5,6,14,15-Dibenzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane Specification

The 8,19-Ethano-8H,19H-dibenzo[b,k][1,4,10,13,7,16]tetraoxadiazacyclooctadecine, 6,7,9,10,17,18,20,21-octahydro-, with the CAS registry number 40471-97-4, is also known as 6,7,9,10,17,18,20,21-Octahydro-8,19-(ethanoxyethanoxyethano)-8H,19H-dibenzo(b,k)(1,4,10,13,7,16)tetraoxadiazacyclooctadecine. Its EINECS number is 254-936-1. This chemical's molecular formula is C₂₆H₃₆N₂O₆ and molecular weight is 472.57. What's more, its systematic name is 6,7,9,10,17,18,20,21-octahydro-8,19-(ethanooxyethanooxyethano)dibenzo[b,k][1,4,10,13,7,16]tetraoxadiazacyclooctadecine.

Physical properties of 8,19-Ethano-8H,19H-dibenzo[b,k][1,4,10,13,7,16]tetraoxadiazacyclooctadecine, 6,7,9,10,17,18,20,21-octahydro- are: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 120.55; (7)ACD/KOC (pH 5.5): 5.57; (8)ACD/KOC (pH 7.4): 969.19; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 61.86 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 130.41 cm³; (15)Molar Volume: 388.6 cm³; (16)Polarizability: 51.69×10^-24cm³; (17)Surface Tension: 53.4 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 161.1 °C; (20)Enthalpy of Vaporization: 89.22 kJ/mol; (21)Boiling Point: 599.3 °C at 760 mmHg; (22)Vapour Pressure: 2.55E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O3CCN1CCOc4ccccc4OCCN(CCOc2ccccc2OCC1)CCOCC3
(2)Std. InChI: InChI=1S/C26H36N2O6/c1-2-6-24-23(5-1)31-17-11-27-9-15-29-21-22-30-16-10-28(12-18-32-24)14-20-34-26-8-4-3-7-25(26)33-19-13-27/h1-8H,9-22H2
(3)Std. InChIKey: KBGDKACEOLZYIC-UHFFFAOYSA-N

Product Name

5,6,14,15-DIBENZO-4,7,13,16,21,24-HEXAOXA-1,10-DIAZABICYCLO[8.8.8]HEXACOSANE

5,6,14,15-Dibenzo-4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane Specification

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