| CAS Number | 477312-25-7 |
| Catalog Number | AG00DLIL(AGN-PC-0RVWXQ) |
| Chemical Name | 1-(3-(Trifluoromethoxy)phenyl)ethanamine |
| IUPAC Name | 1-[3-(trifluoromethoxy)phenyl]ethanamine |
| InChI | InChI=1S/C9H10F3NO/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-6H,13H2,1H3 |
| InChI Key | XRRKIDIISISOKH-UHFFFAOYSA-N |
| MDL Number | MFCD16617621 |
| Molecular Formula | C9H10F3NO |
| Molecular Weight | 205.1770 |
| SMILES | FC(OC=1C=C(C=CC1)C(C)N)(F)F |
| Synonyms | 477312-25-7,
1-(3-(Trifluoromethoxy)phenyl)ethanamine,
1-[3-(Trifluoromethoxy)phenyl]ethylamine,
SCHEMBL2715618,
XRRKIDIISISOKH-UHFFFAOYSA-N,
MFCD16617621,
AKOS012214559,
1-(3-trifluoromethoxyphenyl)-ethylamine,
1228559-55-4,
1-(3-trifluoromethoxy-phenyl)-ethyl amine,
1-(3-trifluoromethoxy-phenyl) -ethyl amine,
CS-0088063,
1-[3-(trifluoromethoxy)phenyl]ethan-1-amine,
(+)-1-(3-(trifluoromethoxy)phenyl)ethanamine,
(+-)-1-(3-trifluoromethoxy-phenyl)ethylamine,
1-[3-(trifluoromethyloxy)-phenyl]-ethyl-amine,
(+/-)-1-(3-trifluoromethoxy phenyl)ethylamine,
(+/-)-1-(3-trifluoromethoxy-phenyl)ethylamine,
(S)-1-(3-(TRIFLUOROMETHOXY)PHENYL)ETHAN-1-AMINE,
(1S)-1-[3-(TRIFLUOROMETHOXY)PHENYL]ETHYLAMINE,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.18g/mol |
| Monoisotopic Mass | 205.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number