Cas no 5307-00-6 (1,4-Benzenediamine,2-methoxy-5-methyl-)

1,4-Benzenediamine,2-methoxy-5-methyl- structure
5307-00-6 structure
Product Name:1,4-Benzenediamine,2-methoxy-5-methyl-
CAS No:5307-00-6
MF:C8H12N2O
MW:152.193681716919
CID:374527
PubChem ID:95798
Update Time:2025-04-19

1,4-Benzenediamine,2-methoxy-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenediamine,2-methoxy-5-methyl-
    • 2-methoxy-5-methylbenzene-1,4-diamine
    • 4-AMINO-2-METHOXY-5-METHYLANILINE
    • NS00122910
    • 2-methyl-5-methoxy paraphenylenediamine
    • UNII-HXB8JN17JU
    • AMINO-2-METHOXY-5-METHYLANILINE, 4-
    • AKOS006278043
    • NSC 36994
    • NSC36994
    • CCRIS 8121
    • NSC-36994
    • Toluene-2,5-diamine, 4-methoxy-
    • HXB8JN17JU
    • 2-methoxy-5-methyl-1,4-diaminobenzene
    • 4-methoxytoluene-2,5-diamine
    • SCHEMBL525676
    • DTXSID90201145
    • 2-methyl 5-methoxy paraphenylenediamine
    • Q27280145
    • 5307-00-6
    • KNRVAYVZVIKHHL-UHFFFAOYSA-N
    • Inchi: 1S/C8H12N2O/c1-5-3-7(10)8(11-2)4-6(5)9/h3-4H,9-10H2,1-2H3
    • InChI Key: KNRVAYVZVIKHHL-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC(=C(C)C=C1N)N

Computed Properties

  • Exact Mass: 152.09506
  • Monoisotopic Mass: 152.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 129
  • 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: 0.9
  • Topological Polar Surface Area: 61.3?2

Experimental Properties

  • Density: 1.133
  • Boiling Point: 308.3°Cat760mmHg
  • Flash Point: 160.3°C
  • Refractive Index: 1.604
  • PSA: 61.27
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