Cas no 138374-55-7 (N,N-Bis(2-ethylhexyl)aniline)
N,N-Bis(2-ethylhexyl)aniline structure
Product Name:N,N-Bis(2-ethylhexyl)aniline
CAS No:138374-55-7
MF:C22H39N
MW:317.551766633987
CID:2772939
PubChem ID:20558584
Update Time:2025-04-21
N,N-Bis(2-ethylhexyl)aniline Chemical and Physical Properties
Names and Identifiers
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- 138374-55-7
- DTXSID20608683
- DB-114926
- N,N-BIS(2-ETHYLHEXYL)ANILINE
- SCHEMBL411184
- N,N-Bis(2-ethylhexyl)aniline
-
- Inchi： 1S/C22H39N/c1-5-9-14-20(7-3)18-23(22-16-12-11-13-17-22)19-21(8-4)15-10-6-2/h11-13,16-17,20-21H,5-10,14-15,18-19H2,1-4H3
- InChI Key： SEQQCNUPFWGKRU-UHFFFAOYSA-N
- SMILES： N(C1C=CC=CC=1)(CC(CC)CCCC)CC(CC)CCCC
Computed Properties
- Exact Mass: 317.308250248Da
- Monoisotopic Mass: 317.308250248Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 23
- Rotatable Bond Count: 13
- Complexity: 239
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.3
- Topological Polar Surface Area: 3.2?2
N,N-Bis(2-ethylhexyl)aniline Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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