| CAS Number | 2177259-22-0 |
| Catalog Number | AG01DTW5(AGN-PC-3H45CM) |
| Chemical Name | oxalic acid; tert-butyl 1,9-diazaspiro[5.5]undecane-9-carboxylate |
| IUPAC Name | tert-butyl 1,9-diazaspiro[5.5]undecane-9-carboxylate;oxalic acid |
| InChI | InChI=1S/C14H26N2O2.C2H2O4/c1-13(2,3)18-12(17)16-10-7-14(8-11-16)6-4-5-9-15-14;3-1(4)2(5)6/h15H,4-11H2,1-3H3;(H,3,4)(H,5,6) |
| InChI Key | PFLJSJUAXBJLAY-UHFFFAOYSA-N |
| MDL Number | MFCD28992048 |
| Molecular Formula | C16H28N2O6 |
| Molecular Weight | 344.4033 |
| SMILES | OC(=O)C(O)=O.CC(C)(C)OC(=O)N1CCC2(CCCCN2)CC1 |
| Synonyms | Tert-Butyl1,9-Diazaspiro[5.5]Undecane-9-Carboxylate Oxalate,
2177259-22-0,
CS-0079909,
tert-Butyl 1,9-diazaspiro[5.5]undecane-9-carboxylate oxalate,
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| Complexity | 373 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.408g/mol |
| Monoisotopic Mass | 344.195g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number