| CAS Number | 1171551-81-7 |
| Catalog Number | AG019MDA(AGN-PC-0WNNCA) |
| Chemical Name | 1-(2,2,2-trifluoroethyl)-1,4-diazepane dihydrochloride |
| IUPAC Name | 1-(2,2,2-trifluoroethyl)-1,4-diazepane;dihydrochloride |
| InChI | InChI=1S/C7H13F3N2.2ClH/c8-7(9,10)6-12-4-1-2-11-3-5-12;;/h11H,1-6H2;2*1H |
| InChI Key | XVAAALBCAORXPF-UHFFFAOYSA-N |
| MDL Number | MFCD10686778 |
| Molecular Formula | C7H15Cl2F3N2 |
| Molecular Weight | 255.1086 |
| SMILES | C1CNCCN(C1)CC(F)(F)F.Cl.Cl |
| Synonyms | 1-(2,2,2-trifluoroethyl)-1,4-diazepane dihydrochloride,
1171551-81-7,
AC1Q3ALL,
CTK7B7152,
AKOS026744948,
NE60053,
EN300-35824,
A1-00866,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.106g/mol |
| Monoisotopic Mass | 254.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number