acridine-3,6-diamine | SBID = 2591 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 22
PubChem TPSA/Å2:
Ertl TPSA/Å2: 64.93
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 1.83
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C13H11N3
M / g/mol: 209.24654
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: acridine-3,6-diamine
  • Preferred Abbreviation: Aciridine
  • IUPAC Name:
  • CAS:
  • CID: -1146
  • InChiKey: WDVSHHCDHLJJJR-UHFFFAOYSA-N
  • InChi: InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2
  • CanoSmiles: Nc1ccc2c(c1)nc1c(c2)ccc(c1)N
  • IsoSmiles: NC1=CC2=NC3=CC(N)=CC=C3C=C2C=C1