N-benzyl-N,N-diethylethanaminium | SBID = 2649 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2: 0.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): -1.87
Charge: 1.0
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: C13H22N+
M / g/mol: 192.32048
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: N-benzyl-N,N-diethylethanaminium
  • Preferred Abbreviation: N-benzyl-N,N-diethylethanaminium
  • IUPAC Name:
  • CAS:
  • CID: -1187
  • InChiKey: VBQDSLGFSUGBBE-UHFFFAOYSA-N
  • InChi: InChI=1S/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1
  • CanoSmiles: CC[N+](Cc1ccccc1)(CC)CC
  • IsoSmiles: CC[N+](CC)(CC)CC1=CC=CC=C1