| CAS Number | 2060041-91-8 |
| Catalog Number | AG01BRHM |
| Chemical Name | 2,5,8-triazaspiro[3.6]decan-9-one bis(trifluoroacetic acid) |
| IUPAC Name | 2,5,8-triazaspiro[3.6]decan-9-one;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C7H13N3O.2C2HF3O2/c11-6-3-7(4-8-5-7)10-2-1-9-6;2*3-2(4,5)1(6)7/h8,10H,1-5H2,(H,9,11);2*(H,6,7) |
| InChI Key | UILQRXOVAIVLPU-UHFFFAOYSA-N |
| MDL Number | MFCD30535728 |
| Molecular Formula | C11H15F6N3O5 |
| Molecular Weight | 383.2443 |
| SMILES | OC(C(F)(F)F)=O.OC(C(F)(F)F)=O.O=C1NCCNC2(CNC2)C1 |
| Synonyms | 2060041-91-8,
2,5,8-triazaspiro[3.6]decan-9-one; bis(trifluoroacetic acid),
AKOS034007803,
Z2738358067,
2,5,8-triazaspiro[3.6]decan-9-one, bis(trifluoroacetic acid),
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 383.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 383.247g/mol |
| Monoisotopic Mass | 383.092g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 128A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number