Cas no 135043-69-5 (Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-, potassium salt (1:3))
135043-69-5 structure
Product Name:Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-, potassium salt (1:3)
CAS No:135043-69-5
MF:C21H33K3N6O6
MW:582.818227529526
CID:2726832
Update Time:2023-08-07
Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-, potassium salt (1:3) Chemical and Physical Properties
Names and Identifiers
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- tripotassium,6-[[4,6-bis(5-carboxylatopentylamino)-1,3,5-triazin-2-yl]amino]hexanoate
- Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-, potassium salt (1:3)
- Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-, tripotassium salt
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- Inchi： 1S/C21H36N6O6.3K/c28-16(29)10-4-1-7-13-22-19-25-20(23-14-8-2-5-11-17(30)31)27-21(26-19)24-15-9-3-6-12-18(32)33;;;/h1-15H2,(H,28,29)(H,30,31)(H,32,33)(H3,22,23,24,25,26,27);;;/q;3*+1/p-3
- InChI Key： CPPLZNPXPQQWQS-UHFFFAOYSA-K
- SMILES： [K+].[K+].[K+].[O-]C(CCCCCNC1N=C(N=C(N=1)NCCCCCC(=O)[O-])NCCCCCC(=O)[O-])=O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 36
- Rotatable Bond Count: 18
- Complexity: 463
- Topological Polar Surface Area: 195
Hexanoic acid, 6,6',6''-(1,3,5-triazine-2,4,6-triyltriimino)tris-, potassium salt (1:3) Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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