Cas no 122365-34-8 (9H-Purin-6-amine,9-(diphenylmethyl)-)

9H-Purin-6-amine,9-(diphenylmethyl)- structure
122365-34-8 structure
Product Name:9H-Purin-6-amine,9-(diphenylmethyl)-
CAS No:122365-34-8
MF:C18H15N5
MW:301.345202684402
CID:160682
PubChem ID:147703
Update Time:2025-04-19

9H-Purin-6-amine,9-(diphenylmethyl)- Chemical and Physical Properties

Names and Identifiers

    • 9H-Purin-6-amine,9-(diphenylmethyl)-
    • 9-benzhydrylpurin-6-amine
    • 9-(diphenylmethyl)-9H-purin-6-amine
    • 9-Benzhydryladenine
    • CCRIS 6911
    • 9-Benzhydryl-9H-purin-6-amine
    • DTXSID40153584
    • 122365-34-8
    • Inchi: 1S/C18H15N5/c19-17-15-18(21-11-20-17)23(12-22-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,16H,(H2,19,20,21)
    • InChI Key: JXSMDTQDKIEIHN-UHFFFAOYSA-N
    • SMILES: N1(C=NC2C(N)=NC=NC1=2)C(C1C=CC=CC=1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 301.13295
  • Monoisotopic Mass: 301.133
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 3
  • Complexity: 360
  • 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: 3.2
  • Topological Polar Surface Area: 69.6?2

Experimental Properties

  • Density: 1.31
  • Boiling Point: 556.7°Cat760mmHg
  • Flash Point: 290.5°C
  • Refractive Index: 1.714
  • PSA: 69.62
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