| CAS Number | 1071435-62-5 |
| Catalog Number | AG0096BS |
| Chemical Name | (S)-1-(6-(Trifluoromethyl)pyridin-3-yl)ethanamine |
| IUPAC Name | (1S)-1-[6-(trifluoromethyl)pyridin-3-yl]ethanamine |
| InChI | InChI=1S/C8H9F3N2/c1-5(12)6-2-3-7(13-4-6)8(9,10)11/h2-5H,12H2,1H3/t5-/m0/s1 |
| InChI Key | HBSGXPCKIDZNIF-YFKPBYRVSA-N |
| MDL Number | MFCD09256747 |
| Molecular Formula | C8H9F3N2 |
| Molecular Weight | 190.1657 |
| SMILES | FC(C1=CC=C(C=N1)[C@H](C)N)(F)F |
| Synonyms | 1071435-62-5,
(S)-1-(6-(TRIFLUOROMETHYL)PYRIDIN-3-YL)ETHANAMINE,
(1S)-1-[6-(TRIFLUOROMETHYL)(3-PYRIDYL)]ETHYLAMINE,
(1S)-1-[6-(trifluoromethyl)pyridin-3-yl]ethan-1-amine,
SCHEMBL998305,
HBSGXPCKIDZNIF-YFKPBYRVSA-N,
ZINC20445223,
AB49725,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.169g/mol |
| Monoisotopic Mass | 190.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
8
|
|
Hazard statements
|
H315-H318-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
|
|
UN Code
|
UN 1760
|
Certificate of Analysis
Lot Number