| CAS Number | 1807939-52-1 |
| Catalog Number | AG01BAF2 |
| Chemical Name | oxalic acid; tert-butyl N-[(1R,5S,6r)-3-azabicyclo[3.1.1]heptan-6-yl]carbamate |
| IUPAC Name | tert-butyl N-[(1S,5S)-3-azabicyclo[3.1.1]heptan-6-yl]carbamate;oxalic acid |
| InChI | InChI=1S/C11H20N2O2.C2H2O4/c1-11(2,3)15-10(14)13-9-7-4-8(9)6-12-5-7;3-1(4)2(5)6/h7-9,12H,4-6H2,1-3H3,(H,13,14);(H,3,4)(H,5,6)/t7-,8-;/m0./s1 |
| InChI Key | CTCNNIULUJYERS-WSZWBAFRSA-N |
| MDL Number | MFCD28397629 |
| Molecular Formula | C13H22N2O6 |
| Molecular Weight | 302.3236 |
| SMILES | CC(OC(N[C@H]1[C@H]2CNC[C@@H]1C2)=O)(C)C.OC(C(O)=O)=O |
| Synonyms | 1807939-52-1,
oxalic acid; tert-butyl N-[(1R,5S,6r)-3-azabicyclo[3.1.1]heptan-6-yl]carbamate,
rac- oxalic acid tert-butyl N-[(1R,5S,6r)-3-azabicyclo[3.1.1]heptan-6-yl]carbamate,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.327g/mol |
| Monoisotopic Mass | 302.148g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 125A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number