Cas no 494769-65-2 (1,5,9-Triazacyclododecane, 1,5,9-tridodecyl-)
494769-65-2 structure
Product Name:1,5,9-Triazacyclododecane, 1,5,9-tridodecyl-
CAS No:494769-65-2
MF:C45H93N3
MW:676.240033864975
CID:1533519
Update Time:2024-08-24
1,5,9-Triazacyclododecane, 1,5,9-tridodecyl- Chemical and Physical Properties
Names and Identifiers
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- 1,5,9-Triazacyclododecane, 1,5,9-tridodecyl-
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- Inchi： 1S/C45H93N3/c1-4-7-10-13-16-19-22-25-28-31-37-46-40-34-42-47(38-32-29-26-23-20-17-14-11-8-5-2)44-36-45-48(43-35-41-46)39-33-30-27-24-21-18-15-12-9-6-3/h4-45H2,1-3H3
- InChI Key： VHTSHDCMNIBGML-UHFFFAOYSA-N
- SMILES： N1(CCCCCCCCCCCC)CCCN(CCCCCCCCCCCC)CCCN(CCCCCCCCCCCC)CCC1
Computed Properties
- Exact Mass: 675.73749
Experimental Properties
- Density: 0.851±0.06 g/cm3(Predicted)
- Boiling Point: 695.7±50.0 °C(Predicted)
- PSA: 9.72
- pka: 9.91±0.20(Predicted)
1,5,9-Triazacyclododecane, 1,5,9-tridodecyl- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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