Cas no 37521-47-4 (8-methylbenzo[f]quinazoline-1,3-diamine)

8-methylbenzo[f]quinazoline-1,3-diamine structure
37521-47-4 structure
Product Name:8-methylbenzo[f]quinazoline-1,3-diamine
CAS No:37521-47-4
MF:C13H12N4
MW:224.26118183136
CID:922361
PubChem ID:283018
Update Time:2025-04-19

8-methylbenzo[f]quinazoline-1,3-diamine Chemical and Physical Properties

Names and Identifiers

    • 8-methylbenzo[f]quinazoline-1,3-diamine
    • 1,3-Diamino-8-methylbenzo(f)quinazoline
    • 1,3-Diamino-8-methylbenzo[f]quinazoline
    • 8-methyl-benzo[f]quinazoline-1,3-diamine
    • AC1L5XQB
    • AC1Q4YPW
    • Benzo(f)quinazoline-1,3-diamine, 8-methyl-
    • Benzo[f]quinazoline-1,3-diamine, 8-methyl-
    • CTK4H8341
    • NSC137192
    • A823854
    • UXOUKCFOWHPRDM-UHFFFAOYSA-N
    • DTXSID90190964
    • 8-Methylbenzo[f]quinazoline-1,3-diamine #
    • NSC-137192
    • 37521-47-4
    • NSC 137192
    • UNII-VS3CFG4ISB
    • 8-METHYLBENZO(F)QUINAZOLINE-1,3-DIAMINE
    • SCHEMBL25367735
    • VS3CFG4ISB
    • Inchi: 1S/C13H12N4/c1-7-2-4-9-8(6-7)3-5-10-11(9)12(14)17-13(15)16-10/h2-6H,1H3,(H4,14,15,16,17)
    • InChI Key: UXOUKCFOWHPRDM-UHFFFAOYSA-N
    • SMILES: N1C(N)=NC(=C2C=1C=CC1C=C(C)C=CC2=1)N

Computed Properties

  • Exact Mass: 224.10636
  • Monoisotopic Mass: 224.106196400g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 283
  • 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: 2.5
  • Topological Polar Surface Area: 77.8?2

Experimental Properties

  • PSA: 77.82
  • LogP: 3.41820
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