| CAS Number | 1330765-38-2 |
| Catalog Number | AG00HSS9(AGN-PC-0WG4M0) |
| Chemical Name | (MESO-1R,5S,6S)-TERT-BUTYL 6-(2-AMINOETHYL)-3-AZABICYCLO[3.1.0]HEXANE-3-CARBOXYLATE |
| IUPAC Name | tert-butyl (1S,5R)-6-(2-aminoethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate |
| InChI | InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-9-8(4-5-13)10(9)7-14/h8-10H,4-7,13H2,1-3H3/t8?,9-,10+ |
| InChI Key | HDPKGQUGXVFATD-PBINXNQUSA-N |
| MDL Number | MFCD20231348 |
| Molecular Formula | C12H22N2O2 |
| Molecular Weight | 226.3153 |
| SMILES | NCC[C@@H]1[C@@H]2[C@H]1CN(C2)C(=O)OC(C)(C)C |
| Synonyms | 1330765-38-2,
(Meso-1R,5S,6S)-Tert-Butyl 6-(2-Aminoethyl)-3-Azabicyclo[3.1.0]Hexane-3-Carboxylate,
MFCD20231348,
(meso-1R,5S,6S)-t-Butyl 6-(2-aminoethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.32g/mol |
| Monoisotopic Mass | 226.168g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number