Cas no 771581-10-3 (1,2-Benzenedimethanamine,4-fluoro-)
771581-10-3 structure
Product Name:1,2-Benzenedimethanamine,4-fluoro-
CAS No:771581-10-3
MF:C8H11FN2
MW:154.184745073318
CID:551701
Update Time:2024-01-30
1,2-Benzenedimethanamine,4-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedimethanamine,4-fluoro-
- 1,2-Benzenedimethanamine,4-fluoro-(9CI)
- [2-(aminomethyl)-4-fluorophenyl]methanamine
- 1,2-Benzenedimethanamine, 4-fluoro-
- 2-(aminomethyl)-4-fluorophenyl]methanamine
-
- Inchi： 1S/C8H11FN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H,4-5,10-11H2
- InChI Key： PZAOALVSENBAGU-UHFFFAOYSA-N
- SMILES： C1(CN)=CC=C(F)C=C1CN
Computed Properties
- Exact Mass: 154.09062652 g/mol
- Monoisotopic Mass: 154.09062652 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 119
- 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
- Molecular Weight: 154.18
- XLogP3: -0.3
- Topological Polar Surface Area: 52?2
Experimental Properties
- Density: 1.153±0.06 g/cm3(Predicted)
- Boiling Point: 252.4±30.0 °C(Predicted)
- pka: 9.07±0.10(Predicted)
1,2-Benzenedimethanamine,4-fluoro- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
771581-10-3 (1,2-Benzenedimethanamine,4-fluoro-) Related Products
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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