Chem
J-GLOBAL ID:200907061790930664
Nikkaji number:J2.498.597K
2-[[(1S)-1-(Hydroxymethyl)-2-methylpropyl]aminomethyl]-4-methoxyphenol
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-メトキシフェノール
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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:
C13 H21 NO3
Molecular formula furigana:
C13-H21-N-O3
Molecular weight:
239.315
InChI:
InChI=1S/C13H21NO3/c1-9(2)12(8-15)14-7-10-6-11(17-3)4-5-13(10)16/h4-6,9,12,14-16H,7-8H2,1-3H3/t12-/m1/s1
InChI key:
WGFVDJYUFNFEGX-GFCCVEGCSA-N
SMILES:
COc1ccc(O)c(CN[C@H](CO)C(C)C)c1
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-メトキシフェノール
2-({[(2S)-1-ヒドロキシ-3-メチルブタン-2-イル]アミノ}メチル)-4-メトキシフェノール
2-({[(2S)-1-hydroxy-3-methylbutan-2-yl]amino}methyl)-4-methoxyphenol
Other name (1):
2-[[(1S)-1-(Hydroxymethyl)-2-methylpropyl]aminomethyl]-4-methoxyphenol
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