Cas no 20492-13-1 (perylen-3-amine)

perylen-3-amine structure
perylen-3-amine structure
Product Name:perylen-3-amine
CAS No:20492-13-1
MF:C20H13N
MW:267.323924779892
CID:1016722
PubChem ID:146539
Update Time:2025-04-20

perylen-3-amine Chemical and Physical Properties

Names and Identifiers

    • perylen-3-amine
    • 3-Aminoperylene
    • 3-Aminoperyleneneat
    • 3-PERYLENAMINE
    • 3-Aminoperylen
    • 3-Aminophenylen
    • AC1L3TEW
    • AG-E-50229
    • BRN 2217022
    • CTK1A6127
    • LS-102497
    • Perylen-3-ylamin
    • perylen-3-ylamine
    • DTXSID80174470
    • 4-12-00-03508 (Beilstein Handbook Reference)
    • 20492-13-1
    • SCHEMBL12175896
    • Inchi: 1S/C20H13N/c21-18-11-10-16-14-7-2-5-12-4-1-6-13(19(12)14)15-8-3-9-17(18)20(15)16/h1-11H,21H2
    • InChI Key: IQEWYVIHLJJXKR-UHFFFAOYSA-N
    • SMILES: NC1=CC=C2C3C=CC=C4C=CC=C(C5C=CC=C1C2=5)C=34

Computed Properties

  • Exact Mass: 267.10489
  • Monoisotopic Mass: 267.104799
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 405
  • 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: 5.4
  • Topological Polar Surface Area: 26

Experimental Properties

  • Density: 1.347
  • Boiling Point: 530°C at 760 mmHg
  • Flash Point: 306°C
  • Refractive Index: 1.931
  • PSA: 26.02
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