| CAS Number | 941598-39-6 |
| Catalog Number | AG01EIO4 |
| Chemical Name | tert-butyl N-methyl-N-[(1r,4r)-4-(methanesulfonyloxy)cyclohexyl]carbamate |
| IUPAC Name | [4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl] methanesulfonate |
| InChI | InChI=1S/C13H25NO5S/c1-13(2,3)18-12(15)14(4)10-6-8-11(9-7-10)19-20(5,16)17/h10-11H,6-9H2,1-5H3 |
| InChI Key | VFMAFTPQWVNDMU-UHFFFAOYSA-N |
| MDL Number | MFCD31629488 |
| Molecular Formula | C13H25NO5S |
| Molecular Weight | 307.4063 |
| SMILES | CN(C(OC(C)(C)C)=O)[C@@H]1CC[C@@H](OS(C)(=O)=O)CC1 |
| Synonyms | SCHEMBL1205717,
SCHEMBL1562310,
tert-butyl N-methyl-N-[(1r,4r)-4-(methanesulfonyloxy)cyclohexyl]carbamate, trans,
941598-39-6,
|
| Complexity | 427 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.145g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.405g/mol |
| Monoisotopic Mass | 307.145g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number