1,3-Benzenedicarboxylic acid, 5-amino-, 1,3-dimethyl ester

CAS Registry Number®

99-27-4
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CAS Name

1,3-Benzenedicarboxylic acid, 5-amino-, 1,3-dimethyl ester

Molecular Formula

C10H11NO4

Molecular Mass

209.20

Cite this Page

1,3-Benzenedicarboxylic acid, 5-amino-, 1,3-dimethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=99-27-4 (retrieved 2024-05-04) (CAS RN: 99-27-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    178-180 °C

  • Melting Point (2)

    176-178 °C

Source(s)

Other Names and Identifiers

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

InChIKey

InChIKey=DEKPYXUDJRABNK-UHFFFAOYSA-N

SMILES

C(OC)(=O)C1=CC(C(OC)=O)=CC(N)=C1

Canonical SMILES

O=C(OC)C1=CC(N)=CC(=C1)C(=O)OC

Other Names for this Substance

  • 1,3-Benzenedicarboxylic acid, 5-amino-, 1,3-dimethyl ester
  • Isophthalic acid, 5-amino-, dimethyl ester
  • 1,3-Benzenedicarboxylic acid, 5-amino-, dimethyl ester
  • 3,5-Dicarbomethoxyaniline
  • 5-Aminoisophthalic acid dimethyl ester

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Deleted or Replaced CAS Registry Numbers

50891-97-9, 942063-56-1

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