| CAS Number | 1330763-32-0 |
| Catalog Number | AG00HSR2(AGN-PC-0WG4FD) |
| Chemical Name | tert-Butyl 3-(iodomethyl)-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate |
| IUPAC Name | tert-butyl 3-(iodomethyl)-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate |
| InChI | InChI=1S/C15H26INO3/c1-14(2,3)20-13(18)17-8-6-15(7-9-17)5-4-12(10-16)19-11-15/h12H,4-11H2,1-3H3 |
| InChI Key | VGHJXOOELHXTLQ-UHFFFAOYSA-N |
| MDL Number | MFCD20230601 |
| Molecular Formula | C15H26INO3 |
| Molecular Weight | 395.2763 |
| SMILES | CC(OC(N1CCC2(COC(CI)CC2)CC1)=O)(C)C |
| Synonyms | tert-Butyl 3-(iodomethyl)-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate,
1330763-32-0,
MFCD20230601,
AKOS027429095,
CS-0047415,
t-Butyl 3-(iodomethyl)-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 395.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 395.281g/mol |
| Monoisotopic Mass | 395.096g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number