Cas no 64018-94-6 (1,3-Benzenedicarboxylic acid, 4-amino-, diethyl ester)

1,3-Benzenedicarboxylic acid, 4-amino-, diethyl ester structure
64018-94-6 structure
Product Name:1,3-Benzenedicarboxylic acid, 4-amino-, diethyl ester
CAS No:64018-94-6
MF:C12H15NO4
MW:237.251803636551
MDL:MFCD22480968
CID:1664734
PubChem ID:57196081
Update Time:2025-04-21

1,3-Benzenedicarboxylic acid, 4-amino-, diethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenedicarboxylic acid, 4-amino-, diethyl ester
    • Diethyl 4-aminoisophthalate
    • diethyl 4-aminobenzene-1,3-dicarboxylate
    • 4-Amino-isophthalic acid diethyl ester
    • A867968
    • 64018-94-6
    • DS-9488
    • SCHEMBL2896481
    • DB-141657
    • diethyl4-aminoisophthalate
    • AMY23514
    • AKOS025287238
    • CS-0454453
    • MDL： MFCD22480968
    • Inchi： 1S/C12H15NO4/c1-3-16-11(14)8-5-6-10(13)9(7-8)12(15)17-4-2/h5-7H,3-4,13H2,1-2H3
    • InChI Key： JWELZQZRNUOFHS-UHFFFAOYSA-N
    • SMILES： O(CC)C(C1C=C(C(=O)OCC)C=CC=1N)=O

Computed Properties

  • Exact Mass: 237.10015
  • Monoisotopic Mass: 237.10010796g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 280
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 78.6?2

Experimental Properties

  • PSA: 78.62

1,3-Benzenedicarboxylic acid, 4-amino-, diethyl ester Pricemore >>

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A2B Chem LLC
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