N,N'-(1,4-phenylenebis(methylene))bis(butan-1-aminium) chloride | SBID = 2622 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 33.22
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 4.76
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: C16H30Cl2N2
M / g/mol: 321.3288
Complexity:
Number of Conformers:

Identifiers

  • Tags: guest
  • Name: N,N'-(1,4-phenylenebis(methylene))bis(butan-1-aminium) chloride
  • Preferred Abbreviation: N,N'-(1,4-phenylenebis(methylene))bis(butan-1-aminium) chloride
  • IUPAC Name:
  • CAS:
  • CID: -1169
  • InChiKey: ADROVXGOPUZPIQ-UHFFFAOYSA-N
  • InChi: InChI=1S/C16H28N2.2ClH/c1-3-5-11-17-13-15-7-9-16(10-8-15)14-18-12-6-4-2;;/h7-10,17-18H,3-6,11-14H2,1-2H3;2*1H
  • CanoSmiles: CCCC[NH2+]Cc1ccc(cc1)C[NH2+]CCCC.[Cl-].[Cl-]
  • IsoSmiles: CCCC[NH2+]CC1=CC=C(C[NH2+]CCCC)C=C1.[Cl-].[Cl-]