| CAS Number | 1914148-54-1 |
| Catalog Number | AG002F87(AGN-PC-0WAMG0) |
| Chemical Name | 3,9-diazaspiro[5.5]undecan-2-one 2,2,2-trifluoroacetate |
| IUPAC Name | 3,9-diazaspiro[5.5]undecan-4-one;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C9H16N2O.C2HF3O2/c12-8-7-9(3-6-11-8)1-4-10-5-2-9;3-2(4,5)1(6)7/h10H,1-7H2,(H,11,12);(H,6,7) |
| InChI Key | UNPHVIAXUMVJHN-UHFFFAOYSA-N |
| MDL Number | MFCD29477768 |
| Molecular Formula | C11H17F3N2O3 |
| Molecular Weight | 282.2595 |
| SMILES | O=C1CC2(CCNCC2)CCN1.O=C(O)C(F)(F)F |
| Synonyms | 3,9-Diazaspiro[5.5]undecan-2-one 2,2,2-trifluoroacetate,
1914148-54-1,
AK199213,
KS-00000TDM,
MFCD29477768,
DS-9987,
AX8305038,
3,9-Diazaspiro[5.5]undecan-2-one, 2,2,2-trifluoroacetate (1:1),
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.263g/mol |
| Monoisotopic Mass | 282.119g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 78.4A^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-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number