Cas no 67676-48-6 (1,3-Benzenediamine, N,N,N',N'-tetrabutyl-)
67676-48-6 structure
Product Name:1,3-Benzenediamine, N,N,N',N'-tetrabutyl-
1,3-Benzenediamine, N,N,N',N'-tetrabutyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediamine, N,N,N',N'-tetrabutyl-
- 1-N,1-N,3-N,3-N-tetrabutylbenzene-1,3-diamine
- SCHEMBL8664260
- N,N,N',N'-tetrabutyl-m-phenylenediamine
- 67676-48-6
- N1,N1,N3,N3-TETRABUTYLBENZENE-1,3-DIAMINE
- ZSQUFPQVWDKROQ-UHFFFAOYSA-N
- DTXSID00454044
-
- Inchi： 1S/C22H40N2/c1-5-9-16-23(17-10-6-2)21-14-13-15-22(20-21)24(18-11-7-3)19-12-8-4/h13-15,20H,5-12,16-19H2,1-4H3
- InChI Key： ZSQUFPQVWDKROQ-UHFFFAOYSA-N
- SMILES： N(C1C=CC=C(C=1)N(CCCC)CCCC)(CCCC)CCCC
Computed Properties
- Exact Mass: 332.3194
- Monoisotopic Mass: 332.319149284g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 14
- Complexity: 237
- 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: 7.2
- Topological Polar Surface Area: 6.5?2
Experimental Properties
- PSA: 6.48
1,3-Benzenediamine, N,N,N',N'-tetrabutyl- Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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