Chem
J-GLOBAL ID：200907013719936410
Nikkaji number：J1.769.882F
4-[[(3,5-Dimethylbenzyl)amino]methyl]benzoic acid
4-[[(3,5-ジメチルベンジル)アミノ]メチル]安息香酸
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
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
Molecular formula： C17H19NO2
Molecular formula furigana： C17-H19-N-O2
Molecular weight： 269.344
InChI：
InChI=1S/C17H19NO2/c1-12-7-13(2)9-15(8-12)11-18-10-14-3-5-16(6-4-14)17(19)20/h3-9,18H,10-11H2,1-2H3,(H,19,20)
InChI key：
GWGPLJXRHXHLRS-UHFFFAOYSA-N
SMILES：
Cc1cc(C)cc(CNCc2ccc(cc2)C(=O)O)c1
Systematic name (3)：
- 4-[[(3,5-ジメチルベンジル)アミノ]メチル]安息香酸
- 4-({[(3,5-ジメチルフェニル)メチル]アミノ}メチル)安息香酸
- 4-({[(3,5-dimethylphenyl)methyl]amino}methyl)benzoic acid
- 4-[[(3,5-Dimethylbenzyl)amino]methyl]benzoic acid
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