| CAS Number | 1250999-05-3 |
| Catalog Number | AG00HHY8(AGN-PC-0WG4EW) |
| Chemical Name | 3,3-DIFLUORO-1,8-DIAZA-SPIRO[4.5]DECANE-8-CARBOXYLIC ACID TERT-BUTYL ESTER |
| IUPAC Name | tert-butyl 3,3-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate |
| InChI | InChI=1S/C13H22F2N2O2/c1-11(2,3)19-10(18)17-6-4-12(5-7-17)8-13(14,15)9-16-12/h16H,4-9H2,1-3H3 |
| InChI Key | BJXNZDCTVPSKMJ-UHFFFAOYSA-N |
| MDL Number | MFCD17016148 |
| Molecular Formula | C13H22F2N2O2 |
| Molecular Weight | 276.3228 |
| SMILES | CC(C)(C)OC(=O)N1CCC2(CC(F)(F)CN2)CC1 |
| Synonyms | 1250999-05-3,
tert-Butyl 3,3-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate,
3,3-Difluoro-1,8-Diaza-Spiro[4.5]Decane-8-Carboxylic Acid Tert-Butyl Ester,
MFCD17016148,
FCH2779331,
OC-0736,
CS-0036465,
3,3-Difluoro-1,8-diaza-spiro[4.5]decane-8-carboxylic acid t-butyl ester,
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| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.165g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.328g/mol |
| Monoisotopic Mass | 276.165g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number