| CAS Number | 2095409-03-1 |
| Catalog Number | AG01BTL4 |
| Chemical Name | 2-[3-(trifluoromethyl)-3H-diazirin-3-yl]ethan-1-amine hydrochloride |
| IUPAC Name | 2-[3-(trifluoromethyl)diazirin-3-yl]ethanamine;hydrochloride |
| InChI | InChI=1S/C4H6F3N3.ClH/c5-4(6,7)3(1-2-8)9-10-3;/h1-2,8H2;1H |
| InChI Key | LXNPLCZMPQKROK-UHFFFAOYSA-N |
| MDL Number | MFCD30730571 |
| Molecular Formula | C4H7ClF3N3 |
| Molecular Weight | 189.5667 |
| SMILES | Cl.NCCC1(C(F)(F)F)N=N1 |
| Synonyms | 2-[3-(trifluoromethyl)-3H-diazirin-3-yl]ethan-1-amine hydrochloride,
2095409-03-1,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.566g/mol |
| Monoisotopic Mass | 189.028g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number