| CAS Number | 2095192-07-5 |
| Catalog Number | AG00J2A7(AGN-PC-0WRANU) |
| Chemical Name | tert-butyl rac-(1S,2S,4R)-2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylate hydrochloride |
| IUPAC Name | tert-butyl (1S,2S,4R)-2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylate;hydrochloride |
| InChI | InChI=1S/C11H20N2O2.ClH/c1-11(2,3)15-10(14)13-7-4-5-9(13)8(12)6-7;/h7-9H,4-6,12H2,1-3H3;1H/t7-,8+,9+;/m1./s1 |
| InChI Key | XGKKKCQEYSLZAJ-KEMIKLHMSA-N |
| MDL Number | MFCD28891836 |
| Molecular Formula | C11H21ClN2O2 |
| Molecular Weight | 248.7496 |
| SMILES | N1([C@H]2CC[C@@H]1C[C@@H]2N)C(=O)OC(C)(C)C.Cl |
| Synonyms | 2095192-07-5,
tert-Butyl rac-(1S,2S,4R)-2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylate hydrochloride,
MFCD28891836,
t-Butyl rac-(1S,2S,4R)-2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylate hydrochloride,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.751g/mol |
| Monoisotopic Mass | 248.129g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number