p-Xylylendiamine (fully protonated) | SBID = 2138 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2: 125.28
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): -0.05
Charge: 2.0
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: C8H14N2++
M / g/mol: 138.21016
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: p-Xylylendiamine (fully protonated)
  • Preferred Abbreviation: p-Xylylendiamine 2+
  • IUPAC Name:
  • CAS:
  • CID: -943
  • InChiKey: ISKQADXMHQSTHK-UHFFFAOYSA-P
  • InChi: InChI=1S/C8H12N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6,9-10H2/p+2
  • CanoSmiles: [NH3+]Cc1ccc(cc1)C[NH3+]
  • IsoSmiles: [NH3+]CC1=CC=C(C[NH3+])C=C1