Chem
J-GLOBAL ID：200907049038799613   Nikkaji number：J76.331D

5-Aminoisophthalic acid dimethyl ester

5-アミノイソフタル酸ジメチル
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： C10H11NO4
Molecular formula furigana： C10-H11-N-O4
Molecular weight： 209.201
InChI： InChI=1S/C10H11NO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,11H2,1-2H3
InChI key： DEKPYXUDJRABNK-UHFFFAOYSA-N
SMILES： COC(=O)c1cc(N)cc(c1)C(=O)OC
Systematic name  (4)：
  • 5-アミノイソフタル酸ジメチル
  • 1-アミノベンゼン-3,5-ジカルボン酸ジメチル
  • 1,3-ジメチル 5-アミノベンゼン-1,3-ジカルボキシラート
  • 1,3-dimethyl 5-aminobenzene-1,3-dicarboxylate
Other name (2)：
  • 1-Aminobenzene-3,5-dicarboxylic acid dimethyl ester
  • 5-Aminoisophthalic acid dimethyl ester
CAS registry number： 99-27-4
Regulation number (3)：
  • (3)-3026
  • EINECS2027438
  • TSCA(99-27-4)
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