Cas no 138884-09-0 (1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid,tris(phenylmethyl) ester)
138884-09-0 structure
Product Name:1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid,tris(phenylmethyl) ester
CAS No:138884-09-0
MF:C32H38N4O6
MW:574.667328357697
CID:1256361
Update Time:2024-08-03
1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid,tris(phenylmethyl) ester Chemical and Physical Properties
Names and Identifiers
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- 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid,tris(phenylmethyl) ester
- 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, 1,4,7-tris(phenylmethyl) ester
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- Inchi： 1S/C32H38N4O6/c37-30(40-24-27-10-4-1-5-11-27)34-18-16-33-17-19-35(31(38)41-25-28-12-6-2-7-13-28)21-23-36(22-20-34)32(39)42-26-29-14-8-3-9-15-29/h1-15,33H,16-26H2
- InChI Key： HCRKPKXLYWDHPT-UHFFFAOYSA-N
- SMILES： N1(C(OCC2=CC=CC=C2)=O)CCNCCN(C(OCC2=CC=CC=C2)=O)CCN(C(OCC2=CC=CC=C2)=O)CC1
Computed Properties
- Exact Mass: 574.27934
Experimental Properties
- Density: 1.204±0.06 g/cm3(Predicted)
- Boiling Point: 717.3±60.0 °C(Predicted)
- PSA: 100.65
- pka: 9.48±0.20(Predicted)
1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid,tris(phenylmethyl) ester Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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