Cas no 139613-89-1 (Benzenamine, 2-(tridecafluorohexyl)-)
139613-89-1 structure
Product Name:Benzenamine, 2-(tridecafluorohexyl)-
CAS No:139613-89-1
MF:C12H6F13N
MW:411.161988735199
CID:1276993
PubChem ID:15651619
Update Time:2025-04-20
Benzenamine, 2-(tridecafluorohexyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 2-(tridecafluorohexyl)-
- 2-(Tridecafluorohexyl)aniline
- NS00110059
- DTXSID30895729
- 139613-89-1
- ZLFYREKELVEJOR-UHFFFAOYSA-N
- 2-(Perfluorohexyl)aniline
-
- Inchi： 1S/C12H6F13N/c13-7(14,5-3-1-2-4-6(5)26)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1-4H,26H2
- InChI Key： ZLFYREKELVEJOR-UHFFFAOYSA-N
- SMILES： FC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C1C=CC=CC=1N)(F)F)(F)F)F
Computed Properties
- Exact Mass: 411.02928
- Monoisotopic Mass: 411.0292653g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 26
- Rotatable Bond Count: 5
- Complexity: 510
- 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: 5.5
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.02
Benzenamine, 2-(tridecafluorohexyl)- Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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