Tetramethylrhodamine | SBID = 161 | Compound | Pubchem logo

Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 55.6
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 3.7
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 4.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 305.0
Sum Formula: C24H22N2O3
M / g/mol: 386.451
Complexity: 752.0
Number of Conformers: 2.0

Identifiers

  • Tags: aromatic, typical guest, dye, charged
  • Name: Tetramethylrhodamine
  • Preferred Abbreviation: Tetramethylrhodamine
  • IUPAC Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate
  • CAS:
  • CID: 9952143
  • InChiKey: ABZLKHKQJHEPAX-UHFFFAOYSA-N
  • InChi: InChI=1S/C24H22N2O3/c1-25(2)15-9-11-19-21(13-15)29-22-14-16(26(3)4)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28/h5-14H,1-4H3
  • CanoSmiles: CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4C(=O)[O-]
  • IsoSmiles: CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=CC=CC=C4C(=O)[O-]