| CAS Number | 924912-15-2 |
| Catalog Number | AG019EZI(AGN-PC-0VZSPU) |
| Chemical Name | tert-butyl (6S,8aR)-6-(hydroxymethyl)-octahydropyrrolo[1,2-a]pyrazine-2-carboxylate |
| IUPAC Name | tert-butyl (6S,8aR)-6-(hydroxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate |
| InChI | InChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)14-6-7-15-10(8-14)4-5-11(15)9-16/h10-11,16H,4-9H2,1-3H3/t10-,11+/m1/s1 |
| InChI Key | SIVMHISIWYDSFX-MNOVXSKESA-N |
| MDL Number | MFCD17017210 |
| Molecular Formula | C13H24N2O3 |
| Molecular Weight | 256.3413 |
| SMILES | CC(C)(C)OC(=O)N1CCN2[C@H](CO)CC[C@@H]2C1 |
| Synonyms | 924912-15-2,
Racemic-(6S,8Ar)-Tert-Butyl 6-(Hydroxymethyl)Hexahydropyrrolo[1,2-A]Pyrazine-2(1H)-Carboxylate,
ZINC238098794,
CS-0037980,
tert-Butyl (6S,8aR)-6-(hydroxymethyl)hexahydropyrrolo[1,2-a]pyrazine-2(1H)-carboxylate,
Racemic-(6S,8Ar)-Tert-Butyl 6-(Hydroxymethyl)Hexahydropyrrolo[1,2-A]Pyrazine-2(1H)-Carboxylate(WX110322),
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| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.346g/mol |
| Monoisotopic Mass | 256.179g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number