Cas no 19433-81-9 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
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- 1-N,1-N,4-N,4-N-tetrabutylbenzene-1,4-diamine
- 1,4-bis(N,N-dibutylamino)benzene
- AC1L6XKN
- NSC518426
- N-Tetrabutyl-p-phenylendiamin
- p-N,N,N',N'-tetrabutylphenylenediamine
- SureCN7153351
- N,N,N',N'-tetrabutyl-p-phenylenediamine
- N~1~,N~1~,N~4~,N~4~-Tetrabutylbenzene-1,4-diamine
- SCHEMBL7153351
- N,N,N,N-TETRABUTYLBENZENE-1,4-DIAMINE
- DS-002044
- 19433-81-9
- NSC-518426
- VEHKMIKMZXCKNZ-UHFFFAOYSA-N
- DTXSID50325795
-
-
- Inchi: 1S/C22H40N2/c1-5-9-17-23(18-10-6-2)21-13-15-22(16-14-21)24(19-11-7-3)20-12-8-4/h13-16H,5-12,17-20H2,1-4H3
- InChI Key: VEHKMIKMZXCKNZ-UHFFFAOYSA-N
- SMILES: N(C1C=CC(=CC=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: 227
- 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
- LogP: 6.49980
Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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