Chem
J-GLOBAL ID:200907032544711970   Nikkaji number:J2.498.596B

2-[[(1S)-1-(Hydroxymethyl)-2-methylpropyl]aminomethyl]-4-chlorophenol

2-[[(1S)-1-(ヒドロキシメチル)-2-メチルプロピル]アミノメチル]-4-クロロフェノール
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: C12H18ClNO2
Molecular formula furigana: C12-H18-CL-N-O2
Molecular weight: 243.730
InChI: InChI=1S/C12H18ClNO2/c1-8(2)11(7-15)14-6-9-5-10(13)3-4-12(9)16/h3-5,8,11,14-16H,6-7H2,1-2H3/t11-/m1/s1
InChI key: OOYGNWFPQMBQEB-LLVKDONJSA-N
SMILES: CC(C)[C@@H](CO)NCc1cc(Cl)ccc1O
Systematic name  (3):
  • 2-[[(1S)-1-(ヒドロキシメチル)-2-メチルプロピル]アミノメチル]-4-クロロフェノール
  • 4-クロロ-2-({[(2S)-1-ヒドロキシ-3-メチルブタン-2-イル]アミノ}メチル)フェノール
  • 4-chloro-2-({[(2S)-1-hydroxy-3-methylbutan-2-yl]amino}methyl)phenol
Other name (1):
  • 2-[[(1S)-1-(Hydroxymethyl)-2-methylpropyl]aminomethyl]-4-chlorophenol
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