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Catalog Number | ACM3705268 |
CAS Number | 3705-26-8 |
Synonyms | (3S)-2,3,6,7,8,8aβ-Hexahydro-3β-(phenylmethyl)pyrrolo[1,2-a]pyrazine-1,4-dione |
Molecular Weight | 244.29 |
InChI | InChI=1S/C14H16N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,17)/t11-,12-/m0/s1 |
InChI Key | QZBUWPVZSXDWSB-RYUDHWBXSA-N |
Melting Point | 146-148 °C |
Purity | 95%+ |
Complexity | 350 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 2 |
Exact Mass | 244.121177757 |
Heavy Atom Count | 18 |
Hydrogen Bond Acceptor Count | 2 |
Hydrogen Bond Donor Count | 1 |
Isomeric SMILES | C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CC3=CC=CC=C3 |
Monoisotopic Mass | 244.121177757 |
PhysicalState | Oil |
Rotatable Bond Count | 2 |
Topological Polar Surface Area | 49.4 Ų |
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