Cas no 5121-06-2 (1,3,5-Cyclohexanetrione,4-acetyl-2,2,6-trimethyl-)
5121-06-2 structure
Product Name:1,3,5-Cyclohexanetrione,4-acetyl-2,2,6-trimethyl-
CAS No:5121-06-2
MF:C12H29N3
MW:215.378762960434
CID:382169
PubChem ID:419371
Update Time:2025-04-19
1,3,5-Cyclohexanetrione,4-acetyl-2,2,6-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Cyclohexanetrione,4-acetyl-2,2,6-trimethyl-
- DTXSID70329316
- 5121-06-2
- AC1L9HLT
-
- Inchi： 1S/C12H29N3/c1-13(2)9-6-7-11-15(5)12-8-10-14(3)4/h6-12H2,1-5H3
- InChI Key： RNIOALWMYVJFDS-UHFFFAOYSA-N
- SMILES： N(C)(CCCN(C)C)CCCCN(C)C
Computed Properties
- Exact Mass: 215.236
- Monoisotopic Mass: 215.236
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 9
- Complexity: 135
- 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: 1.4
- Topological Polar Surface Area: 9.7?2
Experimental Properties
- Density: 0.867
- Boiling Point: 259.3°Cat760mmHg
- Flash Point: 91.5°C
- Refractive Index: 1.466
1,3,5-Cyclohexanetrione,4-acetyl-2,2,6-trimethyl- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
5121-06-2 (1,3,5-Cyclohexanetrione,4-acetyl-2,2,6-trimethyl-) Related Products
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