| CAS Number | 746551-67-7 |
| Catalog Number | AG019EZX(AGN-PC-0WG3OG) |
| Chemical Name | diethyl 2-(benzylamino)succinate |
| IUPAC Name | diethyl 2-(benzylamino)butanedioate |
| InChI | InChI=1S/C15H21NO4/c1-3-19-14(17)10-13(15(18)20-4-2)16-11-12-8-6-5-7-9-12/h5-9,13,16H,3-4,10-11H2,1-2H3 |
| InChI Key | QEVYTOKQIQYNKZ-UHFFFAOYSA-N |
| MDL Number | MFCD28967981 |
| Molecular Formula | C15H21NO4 |
| Molecular Weight | 279.3315 |
| SMILES | CCOC(=O)C(CC(=O)OCC)NCc1ccccc1 |
| Synonyms | Diethyl 2-(benzylamino)succinate,
746551-67-7,
diethyl2-(benzylamino)succinate,
SCHEMBL16079372,
AKOS027425927,
CS-0037628,
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| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.336g/mol |
| Monoisotopic Mass | 279.147g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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