| CAS Number | 1170432-85-5 |
| Catalog Number | AG019M0R |
| Chemical Name | N1-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine dihydrochloride |
| IUPAC Name | N'-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine;dihydrochloride |
| InChI | InChI=1S/C8H10F3N3.2ClH/c9-8(10,11)6-1-2-7(14-5-6)13-4-3-12;;/h1-2,5H,3-4,12H2,(H,13,14);2*1H |
| InChI Key | QTINNXWOQWNJTB-UHFFFAOYSA-N |
| MDL Number | MFCD09971679 |
| Molecular Formula | C8H12Cl2F3N3 |
| Molecular Weight | 278.1022 |
| SMILES | Cl.Cl.NCCNC1=NC=C(C(F)(F)F)C=C1 |
| Synonyms | 1170432-85-5,
N-(2-aminoethyl)-5-(trifluoromethyl)pyridin-2-amine dihydrochloride,
N-(2-aminoethyl)-N-[5-(trifluoromethyl)pyridin-2-yl]amine dihydrochloride,
AC1Q3AVO,
CTK7E8964,
AKOS016900284,
MCULE-9791477331,
NE48358,
EN300-33638,
N1-[5-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine dihydrochloride,
|
| 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