| CAS Number | 1810069-99-8 |
| Catalog Number | AG0022KB(AGN-PC-0WCXOY) |
| Chemical Name | 2-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptane ditrifluoroacetate |
| IUPAC Name | 2,2,2-trifluoroacetic acid;2-(2,2,2-trifluoroethyl)-2,6-diazaspiro[3.3]heptane |
| InChI | InChI=1S/C7H11F3N2.2C2HF3O2/c8-7(9,10)5-12-3-6(4-12)1-11-2-6;2*3-2(4,5)1(6)7/h11H,1-5H2;2*(H,6,7) |
| InChI Key | KYAICPIFYXJQPZ-UHFFFAOYSA-N |
| MDL Number | MFCD29037458 |
| Molecular Formula | C11H13F9N2O4 |
| Molecular Weight | 408.2175 |
| SMILES | FC(F)(F)CN1CC2(CNC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F |
| Synonyms | 1810069-99-8,
2-(2,2,2-Trifluoroethyl)-2,6-diazaspiro[3.3]heptane ditrifluoroacetate,
2-(2,2,2-Trifluoroethyl)-2,6-diazaspiro[3.3]heptane bis(2,2,2-trifluoroacetate),
SCHEMBL17611116,
KS-000005ZF,
MFCD29037458,
SB15863,
AK173943,
AS-52980,
CS-0052314,
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 408.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 15 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 408.221g/mol |
| Monoisotopic Mass | 408.073g/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
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number