Cas no 198834-14-9 ( )
structure
Product Name:
CAS No:198834-14-9
MF:C8H11FN2
MW:154.184745073318
CID:881134
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 1,3-Benzenedimethanamine,2-fluoro-(9CI)
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- Inchi： 1S/C8H11FN2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-3H,4-5,10-11H2
- InChI Key： FZJOHBOREUHXTO-UHFFFAOYSA-N
- SMILES： C(C1=CC=CC(CN)=C1F)N
Computed Properties
- Exact Mass: 154.09073
- Monoisotopic Mass: 154.091
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 107
- 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
- Topological Polar Surface Area: 52A^2
Experimental Properties
- PSA: 52.04
Related Literature
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
198834-14-9 ( ) Related Products
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