Chem
J-GLOBAL ID：200907099325421408
Nikkaji number：J2.445.403G
4-Bromobenzoic acid (2S)-2-(dimethylamino)propyl ester
4-ブロモ安息香酸(2S)-2-(ジメチルアミノ)プロピル
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： C12H16BrNO2
Molecular formula furigana： C12-H16-BR-N-O2
Molecular weight： 286.169
InChI：
InChI=1S/C12H16BrNO2/c1-9(14(2)3)8-16-12(15)10-4-6-11(13)7-5-10/h4-7,9H,8H2,1-3H3/t9-/m0/s1
InChI key：
GCWJFXOSAHOYMF-VIFPVBQESA-N
SMILES：
C[C@@H](COC(=O)c1ccc(Br)cc1)N(C)C
Systematic name (3)：
- 4-ブロモ安息香酸(2S)-2-(ジメチルアミノ)プロピル
- (2S)-2-(ジメチルアミノ)プロピル 4-ブロモベンゾアート
- (2S)-2-(dimethylamino)propyl 4-bromobenzoate
- 4-Bromobenzoic acid (2S)-2-(dimethylamino)propyl ester
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