Chem
J-GLOBAL ID：201207066409102120   Nikkaji number：J3.059.019H

1-Methyl-3α-(aminomethyl)-6α-benzylpiperazine-2,5-dione

1-メチル-3α-(アミノメチル)-6α-ベンジルピペラジン-2,5-ジオン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C13H17N3O2
Molecular formula furigana： C13-H17-N3-O2
Molecular weight： 247.298
InChI： InChI=1S/C13H17N3O2/c1-16-11(7-9-5-3-2-4-6-9)12(17)15-10(8-14)13(16)18/h2-6,10-11H,7-8,14H2,1H3,(H,15,17)/t10-,11-/m0/s1
InChI key： SHLFSQSPSRKWBV-QWRGUYRKSA-N
SMILES： CN1[C@@H](Cc2ccccc2)C(=O)N[C@@H](CN)C1=O
Systematic name  (4)：
  • (2S)-1-メチル-2β-ベンジル-5β-(アミノメチル)ピペラジン-3,6-ジオン
  • 1-メチル-3α-(アミノメチル)-6α-ベンジルピペラジン-2,5-ジオン
  • (3S,6S)-3-(アミノメチル)-6-ベンジル-1-メチルピペラジン-2,5-ジオン
  • (3S,6S)-3-(aminomethyl)-6-benzyl-1-methylpiperazine-2,5-dione
Other name (2)：
  • (2S)-1-Methyl-2β-benzyl-5β-(aminomethyl)piperazine-3,6-dione
  • 1-Methyl-3α-(aminomethyl)-6α-benzylpiperazine-2,5-dione
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