| CAS Number | 1172350-22-9 |
| Catalog Number | AG019V6X |
| Chemical Name | N1-[3-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine dihydrochloride |
| IUPAC Name | N'-[3-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine;dihydrochloride |
| InChI | InChI=1S/C8H10F3N3.2ClH/c9-8(10,11)6-2-1-4-13-7(6)14-5-3-12;;/h1-2,4H,3,5,12H2,(H,13,14);2*1H |
| InChI Key | RBDQAUKGAIQYSZ-UHFFFAOYSA-N |
| MDL Number | MFCD12197046 |
| Molecular Formula | C8H12Cl2F3N3 |
| Molecular Weight | 278.1022 |
| SMILES | Cl.Cl.NCCNC1=C(C(F)(F)F)C=CC=N1 |
| Synonyms | N-(2-aminoethyl)-3-(trifluoromethyl)pyridin-2-amine dihydrochloride,
1172350-22-9,
N1-[3-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine dihydrochloride,
AC1Q3AVM,
CTK7E9046,
MCULE-5674300459,
NE34693,
EN300-43930,
Z449369084,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.1g/mol |
| Monoisotopic Mass | 277.036g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number