Rhodamine methylester chloride | SBID = 160 | Compound | Pubchem logo

Molecular Properties

Interactions: 2
PubChem TPSA/Å2: 85.4
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 3.0
Number of H-Bond Acceptors: 5.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3:
Sum Formula: C21H17ClN2O3
M / g/mol: 380.828
Complexity: 706.0
Number of Conformers: 0.0

Identifiers

  • Tags: aromatic, typical guest, dye
  • Name: Rhodamine methylester chloride
  • Preferred Abbreviation: Rhodamine 123
  • IUPAC Name: methyl 2-(3-amino-6-iminoxanthen-9-yl)benzoate;hydrochloride
  • CAS: 62669-70-9
  • CID: 9929799
  • InChiKey: MYFATKRONKHHQL-UHFFFAOYSA-N
  • InChi: InChI=1S/C21H16N2O3.ClH/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20;/h2-11,22H,23H2,1H3;1H
  • CanoSmiles: COC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N.Cl
  • IsoSmiles: COC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N.Cl