1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetamide supplier

Name
1,4,7,10-Tetrakis(aminocarbonylmethyl)-1,4,7,10-tetraazacyclododecane
EINECS
CAS No. 157599-02-5
Article Data8
CAS DataBase
Density 1.211 g/cm³
Solubility
Melting Point
Formula C₁₆H₃₂N₈O₄
Boiling Point 767.394 °C at 760 mmHg
Molecular Weight 400.481
Flash Point 417.905 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4,7,10-Tetrakis(carbamoylmethyl)-1,4,7,10-tetraazacyclododecane;1,4,7,10-Tetrakis[carbamoylmethyl]-1,4,7,10-tetracyclodecane;TCMC;2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetamide;Cyclen-N,N',N",N'"-tetraacetamide;1,4,7,10-tetrakis(carbamoylmethyl)-1,4,7,10-tetraazacyclododecane;
PSA 185.32000
LogP -2.29800

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetamide Specification

The 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetamide, with the CAS registry number 157599-02-5, has the systematic name of 2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetamide. It is hygroscopic, and the molecular formula of this chemical is C₁₆H₃₂N₈O₄.

The physical properties of 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetamide are as following: (1)ACD/LogP: -2.81; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -6; (4)ACD/LogD (pH 7.4): -5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 12; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 185.32 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 102.726 cm³; (15)Molar Volume: 330.61 cm³; (16)Polarizability: 40.724×10^-24cm³; (17)Surface Tension: 51.672 dyne/cm; (18)Density: 1.211 g/cm³; (19)Flash Point: 417.905 °C; (20)Enthalpy of Vaporization: 111.734 kJ/mol; (21)Boiling Point: 767.394 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)CN1CCN(CCN(CCN(CC(=O)N)CC1)CC(=O)N)CC(=O)N
(2)InChI: InChI=1/C16H32N8O4/c17-13(25)9-21-1-2-22(10-14(18)26)5-6-24(12-16(20)28)8-7-23(4-3-21)11-15(19)27/h1-12H2,(H2,17,25)(H2,18,26)(H2,19,27)(H2,20,28)
(3)InChIKey: FQIHLPGWBOBPSG-UHFFFAOYAU

Product Name

1,4,7,10-Tetrakis(aminocarbonylmethyl)-1,4,7,10-tetraazacyclododecane

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetamide Specification

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