| CAS Number | 1252572-44-3 |
| Catalog Number | AG01C2CL |
| Chemical Name | tert-butyl 5-amino-octahydro-1H-isoindole-2-carboxylate, Mixture of diastereomers |
| IUPAC Name | tert-butyl 5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate |
| InChI | InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-7-9-4-5-11(14)6-10(9)8-15/h9-11H,4-8,14H2,1-3H3 |
| InChI Key | LLTJKZQPTQJCDC-UHFFFAOYSA-N |
| MDL Number | MFCD22370035 |
| Molecular Formula | C13H24N2O2 |
| Molecular Weight | 240.3419 |
| SMILES | CC(C)(C)OC(=O)N1CC2CCC(CC2C1)N |
| Synonyms | 1252572-44-3,
tert-butyl 5-aminooctahydro-2h-isoindole-2-carboxylate,
SCHEMBL17107734,
LLTJKZQPTQJCDC-UHFFFAOYSA-N,
MFCD22370035,
AKOS023210619,
AS-43551,
CS-0046678,
t-Butyl 5-aminooctahydro-2H-isoindole-2-carboxylate,
tert-butyl 5-amino-octahydro-1H-isoindole-2-carboxylate,
Z2293642699,
tert-butyl 5-aminohexahydro-1H-isoindole-2(3H)-carboxylate,
tert-butyl 5-amino-octahydro-1H-isoindole-2-carboxylate, Mixture of diastereomers,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.347g/mol |
| Monoisotopic Mass | 240.184g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number