Cas no 87991-66-0 (Benzenamine, 4-(2-cyclohexyl-1,1-dimethylethoxy)-)
87991-66-0 structure
Product Name:Benzenamine, 4-(2-cyclohexyl-1,1-dimethylethoxy)-
CAS No:87991-66-0
MF:C16H25NO
MW:247.375804662704
CID:649329
PubChem ID:71411593
Update Time:2025-04-19
Benzenamine, 4-(2-cyclohexyl-1,1-dimethylethoxy)- Chemical and Physical Properties
Names and Identifiers
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- Benzenamine, 4-(2-cyclohexyl-1,1-dimethylethoxy)-
- 4-(1-cyclohexyl-2-methylpropan-2-yl)oxyaniline
- 4-[(1-Cyclohexyl-2-methylpropan-2-yl)oxy]aniline
- 87991-66-0
- DTXSID20831196
-
- Inchi： 1S/C16H25NO/c1-16(2,12-13-6-4-3-5-7-13)18-15-10-8-14(17)9-11-15/h8-11,13H,3-7,12,17H2,1-2H3
- InChI Key： YKJILSBRMDHQOW-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)N)C(C)(C)CC1CCCCC1
Computed Properties
- Exact Mass: 247.193614421g/mol
- Monoisotopic Mass: 247.193614421g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 238
- 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: 4.9
- Topological Polar Surface Area: 35.2?2
Benzenamine, 4-(2-cyclohexyl-1,1-dimethylethoxy)- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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