Cas no 668276-43-5 (methyl 3,4-diamino-5-methylbenzoate)

methyl 3,4-diamino-5-methylbenzoate structure
668276-43-5 structure
Product Name:methyl 3,4-diamino-5-methylbenzoate
CAS No:668276-43-5
MF:C9H12N2O2
MW:180.203782081604
MDL:MFCD16036713
CID:1011780
PubChem ID:21098150
Update Time:2025-04-20

methyl 3,4-diamino-5-methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • methyl 3,4-diamino-5-methylbenzoate
    • methyl 3,4-diamino-5-methyl-benzoate
    • SCHEMBL637391
    • Benzoic acid, 3,4-diamino-5-methyl-, methyl ester
    • PWBQQBYVZKTMOV-UHFFFAOYSA-N
    • AKOS027196657
    • METHYL3,4-DIAMINO-5-METHYLBENZOATE
    • Z1255463424
    • 3,4-Diamino-5-methyl-benzoic acid methyl ester
    • 668276-43-5
    • CS-0371060
    • DTXSID001294606
    • EN300-244646
    • DB-430991
    • G74202
    • MDL: MFCD16036713
    • Inchi: 1S/C9H12N2O2/c1-5-3-6(9(12)13-2)4-7(10)8(5)11/h3-4H,10-11H2,1-2H3
    • InChI Key: PWBQQBYVZKTMOV-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=C(C(=C(C)C=1)N)N)=O

Computed Properties

  • Exact Mass: 180.08996
  • Monoisotopic Mass: 180.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 196
  • 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: 0.8
  • Topological Polar Surface Area: 78.3?2

Experimental Properties

  • PSA: 78.34

methyl 3,4-diamino-5-methylbenzoate Pricemore >>

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