| CAS Number | 1196157-31-9 |
| Catalog Number | AG0099P8 |
| Chemical Name | 6-(Trifluoromethyl)Isoquinolin-1-Amine |
| IUPAC Name | 6-(trifluoromethyl)isoquinolin-1-amine |
| InChI | InChI=1S/C10H7F3N2/c11-10(12,13)7-1-2-8-6(5-7)3-4-15-9(8)14/h1-5H,(H2,14,15) |
| InChI Key | DPYKWKCCUGWJCZ-UHFFFAOYSA-N |
| MDL Number | MFCD13189943 |
| Molecular Formula | C10H7F3N2 |
| Molecular Weight | 212.1712 |
| SMILES | FC(C=1C=C2C=CN=C(C2=CC1)N)(F)F |
| Synonyms | 6-(TRIFLUOROMETHYL)ISOQUINOLIN-1-AMINE,
1196157-31-9,
MFCD13189943,
ZINC36258026,
AKOS022287723,
AB69434,
AS-49718,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.175g/mol |
| Monoisotopic Mass | 212.056g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number