Cas no 59338-91-9 (4,5-diamino-2-methoxybenzoic acid)

4,5-diamino-2-methoxybenzoic acid structure
59338-91-9 structure
Product Name:4,5-diamino-2-methoxybenzoic acid
CAS No:59338-91-9
MF:C8H10N2O3
MW:182.176601886749
MDL:MFCD18974923
CID:373257
PubChem ID:101017
Update Time:2025-04-19

4,5-diamino-2-methoxybenzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4,5-diamino-2-methoxy-
    • 4,5-diamino-o-anisic acid
    • 4,5-diamino-2-methoxybenzoic acid
    • SCHEMBL1965781
    • NS00055520
    • 2-methoxy-4,5-diaminobenzoic acid
    • EN300-218841
    • EINECS 261-708-5
    • LYFZXIXVTGAHSZ-UHFFFAOYSA-N
    • DTXSID90974761
    • 59338-91-9
    • MDL: MFCD18974923
    • Inchi: 1S/C8H10N2O3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,9-10H2,1H3,(H,11,12)
    • InChI Key: LYFZXIXVTGAHSZ-UHFFFAOYSA-N
    • SMILES: O(C)C1C=C(C(=CC=1C(=O)O)N)N

Computed Properties

  • Exact Mass: 182.0692
  • Monoisotopic Mass: 182.069142
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 198
  • 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: 98.6
  • XLogP3: 0.1

Experimental Properties

  • Density: 1.395
  • Boiling Point: 430.4°C at 760 mmHg
  • Flash Point: 214.1°C
  • Refractive Index: 1.662
  • PSA: 98.57

4,5-diamino-2-methoxybenzoic acid Pricemore >>

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