| CAS Number | 1559170-27-2 |
| Catalog Number | AG01DJTN |
| Chemical Name | tert-Butyl 5-amino-3-azabicyclo[4.1.0]heptane-3-carboxylate |
| IUPAC Name | tert-butyl 5-amino-3-azabicyclo[4.1.0]heptane-3-carboxylate |
| InChI | InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-5-7-4-8(7)9(12)6-13/h7-9H,4-6,12H2,1-3H3 |
| InChI Key | RGUXKOMAMWNWBO-UHFFFAOYSA-N |
| MDL Number | MFCD28398096 |
| Molecular Formula | C11H20N2O2 |
| Molecular Weight | 212.2887 |
| SMILES | NC1CN(CC2C1C2)C(=O)OC(C)(C)C |
| Synonyms | 1559170-27-2,
tert-Butyl 5-amino-3-azabicyclo[4.1.0]heptane-3-carboxylate,
3-Boc-5-amino-3-aza-bicyclo[4.1.0]heptane,
2172AJ,
3-Boc-5-amino-3-aza-bicyclo4.1.0heptane,
CS-0060920,
C11H20N2O2,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.293g/mol |
| Monoisotopic Mass | 212.152g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number