Cas no 107975-92-8 (1,3,5-Benzenetricarboxamide, N,N',N''-trioctyl-)
107975-92-8 structure
Product Name:1,3,5-Benzenetricarboxamide, N,N',N''-trioctyl-
CAS No:107975-92-8
MF:C33H57N3O3
MW:543.823989629745
CID:1184813
PubChem ID:13999235
Update Time:2025-04-20
1,3,5-Benzenetricarboxamide, N,N',N''-trioctyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Benzenetricarboxamide, N,N',N''-trioctyl-
- 1-N,3-N,5-N-trioctylbenzene-1,3,5-tricarboxamide
- N1,N3,N5-Trioctylbenzene-1,3,5-tricarboxamide
- DTXSID40553969
- N~1~,N~3~,N~5~-Trioctylbenzene-1,3,5-tricarboxamide
- 107975-92-8
- SCHEMBL6437809
-
- Inchi： 1S/C33H57N3O3/c1-4-7-10-13-16-19-22-34-31(37)28-25-29(32(38)35-23-20-17-14-11-8-5-2)27-30(26-28)33(39)36-24-21-18-15-12-9-6-3/h25-27H,4-24H2,1-3H3,(H,34,37)(H,35,38)(H,36,39)
- InChI Key： HVHZKCRRIADHDW-UHFFFAOYSA-N
- SMILES： O=C(C1C=C(C=C(C=1)C(NCCCCCCCC)=O)C(NCCCCCCCC)=O)NCCCCCCCC
Computed Properties
- Exact Mass: 543.43999269g/mol
- Monoisotopic Mass: 543.43999269g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 39
- Rotatable Bond Count: 24
- Complexity: 542
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 10
- Topological Polar Surface Area: 87.3?2
1,3,5-Benzenetricarboxamide, N,N',N''-trioctyl- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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