| CAS Number | 1609407-83-1 |
| Catalog Number | AG00HYMN(AGN-PC-0WCVOJ) |
| Chemical Name | 2,6-Diazaspiro[3.3]heptane, 2-cyclopropyl-, 2,2,2-trifluoroacetate (1:2) |
| IUPAC Name | 2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C8H14N2.2C2HF3O2/c1-2-7(1)10-5-8(6-10)3-9-4-8;2*3-2(4,5)1(6)7/h7,9H,1-6H2;2*(H,6,7) |
| InChI Key | NKOPSFCHMMCILJ-UHFFFAOYSA-N |
| MDL Number | MFCD28024795 |
| Molecular Formula | C10H15F3N2O2 |
| Molecular Weight | 252.2335 |
| SMILES | N1(CC2(C1)CNC2)C1CC1.C(F)(F)(F)C(O)=O.C(F)(F)(F)C(O)=O |
| Synonyms | 1609407-83-1,
2-Cyclopropyl-2,6-diazaspiro[3.3]heptane bistrifluoroacetate,
2-cyclopropyl-2,6-diazaspiro[3.3]heptane bis(trifluoroacetate),
2-Cyclopropyl-2,6-diazaspiro[3.3]heptane bis(2,2,2-trifluoroacetate),
ZX-CM010760,
MFCD28024795,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.26g/mol |
| Monoisotopic Mass | 366.101g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 89.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number