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CAS No.: 18084-64-5
Name: 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane
Article Data: 8
Molecular Structure:
Molecular Structure of 18084-64-5 (1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane)
Formula: C36H44N4
Molecular Weight: 532.772
Synonyms: 1,4,7,10-Tetraazacyclododecane,1,4,7,10-tetrabenzyl- (8CI);
Density: 1.087 g/cm3
Melting Point: 140-142 °C
Boiling Point: 639.164 °C at 760 mmHg
Flash Point: 264.655 °C
Solubility: 5mg/L at 20℃
Appearance: white powdery crystal
PSA: 12.96000
LogP: 5.76040
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    1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane Molecular Weight 532.76 CAS Registry Number 18084-64-5 1,4,7,10-Tetrabenzyl…

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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