| CAS Number | 944317-36-6 |
| Catalog Number | AG00II5M(AGN-PC-0WQXNC) |
| Chemical Name | Benzyl 5-aminoisoindoline-2-carboxylate |
| IUPAC Name | benzyl 5-amino-1,3-dihydroisoindole-2-carboxylate |
| InChI | InChI=1S/C16H16N2O2/c17-15-7-6-13-9-18(10-14(13)8-15)16(19)20-11-12-4-2-1-3-5-12/h1-8H,9-11,17H2 |
| InChI Key | AXOZCJSRLOKLFH-UHFFFAOYSA-N |
| MDL Number | MFCD20039647 |
| Molecular Formula | C16H16N2O2 |
| Molecular Weight | 268.3104 |
| SMILES | Nc1ccc2c(c1)CN(C2)C(=O)OCc1ccccc1 |
| Synonyms | benzyl 5-aminoisoindoline-2-carboxylate,
944317-36-6,
SCHEMBL1506610,
SCHEMBL5023808,
AXOZCJSRLOKLFH-UHFFFAOYSA-N,
MFCD20039647,
ZINC116383225,
DA-00512,
FT-0766633,
benzyl 5-amino-1,3-dihydro-2H-isoindole-2-carboxylate,
|
| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.316g/mol |
| Monoisotopic Mass | 268.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number