Cas no 90390-35-5 (N-(3-chloro-5-fluorobenzyl)ethanamine)
90390-35-5 structure
Product Name:N-(3-chloro-5-fluorobenzyl)ethanamine
CAS No:90390-35-5
MF:C9H11ClFN
MW:187.641744852066
CID:1951705
PubChem ID:457618
Update Time:2025-04-21
N-(3-chloro-5-fluorobenzyl)ethanamine Chemical and Physical Properties
Names and Identifiers
-
- N-(3-chloro-5-fluorobenzyl)ethanamine
- Benzenemethanamine, 3-chloro-N-ethyl-5-fluoro-
- 90389-73-4
- DTXSID50238154
- 90390-35-5
- 3-CHLORO-N-ETHYL-5-FLUORO-BENZENEMETHANAMINE
- CHEMBL1183010
- N-[(3-chloro-5-fluoro-phenyl)methyl]ethanamine
-
- Inchi： 1S/C9H11ClFN/c1-2-12-6-7-3-8(10)5-9(11)4-7/h3-5,12H,2,6H2,1H3
- InChI Key： GUQUBIDXRKHURR-UHFFFAOYSA-N
- SMILES： ClC1=CC(=CC(=C1)CNCC)F
Computed Properties
- Exact Mass: 187.0564052Da
- Monoisotopic Mass: 187.0564052Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 132
- 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: 2.4
- Topological Polar Surface Area: 12?2
N-(3-chloro-5-fluorobenzyl)ethanamine Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
90390-35-5 (N-(3-chloro-5-fluorobenzyl)ethanamine) Related Products
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