N,N'-(1,4-phenylenebis(methylene))bis(prop-2-yn-1-aminium) chloride | SBID = 2620 | Compound | Custom Molecule

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 33.22
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 2.49
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: C14H18Cl2N2
M / g/mol: 285.21212
Complexity:
Number of Conformers:

Identifiers

  • Tags: guest
  • Name: N,N'-(1,4-phenylenebis(methylene))bis(prop-2-yn-1-aminium) chloride
  • Preferred Abbreviation: N,N'-(1,4-phenylenebis(methylene))bis(prop-2-yn-1-aminium) chloride
  • IUPAC Name:
  • CAS:
  • CID: -1167
  • InChiKey: IJXRNDCYDPEWKJ-UHFFFAOYSA-N
  • InChi: InChI=1S/C14H16N2.2ClH/c1-3-9-15-11-13-5-7-14(8-6-13)12-16-10-4-2;;/h1-2,5-8,15-16H,9-12H2;2*1H
  • CanoSmiles: C#CC[NH2+]Cc1ccc(cc1)C[NH2+]CC#C.[Cl-].[Cl-]
  • IsoSmiles: C#CC[NH2+]CC1=CC=C(C[NH2+]CC#C)C=C1.[Cl-].[Cl-]