Molecular properties
- Formula
- C28H31ClN2O3
- Molar mass
- 479.00 g·mol−1
- Exact mass
- 478.2023 Da
- 14
- 1
- 5
- 52.80 Ų
- CAS
- 81-88-9
- PubChem CID
- 6694
Molecule record
RHODAMINE B
C28H31ClN2O3
479.00 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alcohol
Alkene
Amine
Aromatic ring
Carboxylic acid
Phenol
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 81-88-9
- Basic Rose Red
- Basic Violet 10
- Brilliant Pink B
- Calcozine Red BX
- Geranium lake N
- Rheonine B
- Rhodamine
Show all 22 synonyms
- Rhodamine B chloride
- Rhodamine BA
- Rhodamine BF
- Rhodamine BL
- Rhodamine BN
- Rhodamine BS
- Rhodamine BX
- Rhodamine BXL
- Rhodamine BXP
- Rhodamine FB
- Rhodamine Lake Red B
- Rhodamine O
- Symulex Magenta F
- Tetraethylrhodamine
Structure identifiers
- Canonical SMILES
- CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-]
- Isomeric SMILES
- CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O.[Cl-]
- InChI
- InChI=1S/C28H30N2O3.ClH/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;/h9-18H,5-8H2,1-4H3;1H
- InChIKey
- PYWVYCXTNDRMGF-UHFFFAOYSA-N
- PubChem CID
- 6694
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
3350 cm−1broad O-H (simulated)
3000 cm−1broad acid O-H (simulated)
1710 cm−1C=O acid (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for RHODAMINE B; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for RHODAMINE B; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.