Chem
J-GLOBAL ID:200907017137527464   Nikkaji number:J978.135H

4-[(2S)-2-Morpholino-3-methylbutyl]benzonitrile

4-[(2S)-2-モルホリノ-3-メチルブチル]ベンゾニトリル
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: C16H22N2O
Molecular formula furigana: C16-H22-N2-O
Molecular weight: 258.365
InChI: InChI=1S/C16H22N2O/c1-13(2)16(18-7-9-19-10-8-18)11-14-3-5-15(12-17)6-4-14/h3-6,13,16H,7-11H2,1-2H3/t16-/m0/s1
InChI key: JKKJBBKTEFOQTN-INIZCTEOSA-N
SMILES: CC(C)[C@H](Cc1ccc(cc1)C#N)N1CCOCC1
Systematic name  (3):
  • 4-[(2S)-2-モルホリノ-3-メチルブチル]ベンゾニトリル
  • 4-[(2S)-3-メチル-2-(モルホリン-4-イル)ブチル]ベンゾニトリル
  • 4-[(2S)-3-methyl-2-(morpholin-4-yl)butyl]benzonitrile
Other name (1):
  • 4-[(2S)-2-Morpholino-3-methylbutyl]benzonitrile
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