Cas no 42122-73-6 (Diethyl 5-Aminoisophthalate)

Diethyl 5-Aminoisophthalate structure
Diethyl 5-Aminoisophthalate structure
Product Name:Diethyl 5-Aminoisophthalate
CAS No:42122-73-6
MF:C12H16ClNO4
MW:273.712742805481
MDL:MFCD00127691
CID:333493
PubChem ID:677188
Update Time:2025-04-19

Diethyl 5-Aminoisophthalate Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenedicarboxylicacid, 5-amino-, 1,3-diethyl ester
    • Diethyl 5-aminoisophthalate
    • DIETHYL 5-AMINOISOPHTHALATE HYDROCHLORIDE
    • 1,3-Benzenedicarboxylic acid, 5-amino-, diethyl ester, hydrochloride
    • 5-amino-isophthalic acid diethyl ester
    • 5-Aminoisophthalic acid diethyl ester
    • 5-Amino-isophthalsaeure-diaethylester
    • AC1Q39X4
    • AG-F-49777
    • AGN-PC-00V7BA
    • CTK8F9174
    • diethyl 5-(amino)isophthaloate
    • EN300-05128
    • T0514-7022
    • diethyl 5-aminobenzene-1,3-dicarboxylate;hydrochloride
    • DTXSID00585569
    • AS-65277
    • 105222-17-1
    • Z56893135
    • Diethyl 5-aminobenzene-1,3-dicarboxylate--hydrogen chloride (1/1)
    • DIETHYL5-AMINOISOPHTHALATEHYDROCHLORIDE
    • 42122-73-6
    • AKOS027382448
    • D96000
    • Triethyleneglycolbis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate
    • SR-01000040321-1
    • 1,3-diethyl 5-aminobenzene-1,3-dicarboxylate hydrochloride
    • CS-0289369
    • SR-01000040321
    • Diethyl 5-Aminoisophthalate
    • MDL: MFCD00127691
    • Inchi: 1S/C12H15NO4.ClH/c1-3-16-11(14)8-5-9(7-10(13)6-8)12(15)17-4-2;/h5-7H,3-4,13H2,1-2H3;1H
    • InChI Key: KROZITDVWZMYOC-UHFFFAOYSA-N
    • SMILES: Cl.O(CC)C(C1C=C(C=C(C(=O)OCC)C=1)N)=O

Computed Properties

  • Exact Mass: 237.10015
  • Monoisotopic Mass: 237.100108
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 254
  • 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
  • Topological Polar Surface Area: 78.6

Experimental Properties

  • Density: 1.183
  • Boiling Point: 388.7°C at 760 mmHg
  • Flash Point: 183.1°C
  • Refractive Index: 1.544
  • PSA: 78.62

Diethyl 5-Aminoisophthalate Pricemore >>

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