| CAS Number | 706780-18-9 |
| Catalog Number | AG00IC3C(AGN-PC-0TYEKH) |
| Chemical Name | (S)-3-(N-Boc-amino)-N-benzylsuccinimide |
| IUPAC Name | tert-butyl N-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]carbamate |
| InChI | InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)17-12-9-13(19)18(14(12)20)10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)/t12-/m0/s1 |
| InChI Key | HSHHGIMPBSXCGK-LBPRGKRZSA-N |
| MDL Number | MFCD29957369 |
| Molecular Formula | C16H20N2O4 |
| Molecular Weight | 304.3410 |
| SMILES | O=C(N1CC2=CC=CC=C2)C[C@H](NC(OC(C)(C)C)=O)C1=O |
| Synonyms | (S)-3-(N-Boc-amino)-N-benzylsuccinimide,
706780-18-9,
(2S)-N-Benzyl-2-(tert-butoxycarbonylamino)succinimide,
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| Complexity | 450 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.346g/mol |
| Monoisotopic Mass | 304.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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