1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane supplier

Name
1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane
EINECS
CAS No. 18084-64-5
Article Data8
CAS DataBase
Density 1.087 g/cm³
Solubility 5mg/L at 20℃
Melting Point 140-142 °C
Formula C₃₆H₄₄N₄
Boiling Point 639.164 °C at 760 mmHg
Molecular Weight 532.772
Flash Point 264.655 °C
Transport Information
Appearance white powdery crystal
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4,7,10-Tetraazacyclododecane,1,4,7,10-tetrabenzyl- (8CI);
PSA 12.96000
LogP 5.76040

1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane Specification

The 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane, with its CAS registry number 18084-64-5, could also be called as 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane. And it has the chemical formula of C₃₆H₄₄N₄.

The characteristics of this chemical are as below: (1)ACD/LogP: 4.91; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 12.96 ; (7)Index of Refraction: 1.6; (8)Molar Refractivity: 167.82 cm³; (9)Molar Volume: 490.3 cm³; (10)Polarizability: 66.53×10^-24 cm³; (11)Surface Tension: 46.7 dyne/cm ; (12)Density: 1.086 g/cm³; (13)Flash Point: 264.7 °C; (14)Enthalpy of Vaporization: 94.39 kJ/mol; (15)Boiling Point: 639.2 °C at 760 mmHg; (16)Vapour Pressure: 3.11E-16 mmHg at 25°C.

In addition, you could convert the following datas into the molecular structure:
(1)SMILES:N2(CCN(Cc1ccccc1)CCN(CCN(CC2)Cc3ccccc3)Cc4ccccc4)Cc5ccccc5
(2)InChI:InChI=1/C36H44N4/c1-5-13-33(14-6-1)29-37-21-23-38(30-34-15-7-2-8-16-34)25-27-40(32-36-19-11-4-12-20-36)28-26-39(24-22-37)31-35-17-9-3-10-18-35/h1-20H,21-32H2
(3)InChIKey:VXOJKUWHCFFUCO-UHFFFAOYAF

Product Name

1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane

1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane Specification

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