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Solvent Red 49
CAS: 509-34-2 | C28H30N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
509-34-2
Molecular Formula:
C28H30N2O3
Molecular Mass:
442.56 g/mol
Names and Synonyms:
Solvent Red 49
Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 3′,6′-bis(diethylamino)-
Fluoran, 3′,6′-bis(diethylamino)-
C.I. Solvent Red 49
3′,6′-Bis(diethylamino)spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one
Rhodamine B lactone
Rhodamine B base
Aizen Rhodamine B Base
Certiqual Rhodamine
Eljon Magenta Toner
Fast Oil Pink B
Lacquer Pink S
Rhodamine B Extra Base
Waxoline Rhodamine B
Waxoline Rhodamine BS
Rhodamine Base B Extra
Solvent Red 49
Rhodamine B Base Extra
Rhodamine S lactone
3′,6′-Bis(diethylamino)-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthene]
Oil Pink 312
Orient Oil Pink 312
Rhodamine S (Russian), lactone
Rhodamine Base FB
Baso Red 546
Neptune Red Base 543
Baso Red NB 546
Aizen SOT Pink 1
Rhodamine Base B
Oil Pink 330
Orient Pink 312
NSC 43944
Neptune Red Base NB 543LD
Oil Red 312
Orient Oil Red 312
Vali Fast Pink 2312
3′,6′-Bis(diethylamino)spiro[2-benzofuran-3,9′-xanthene]-1-one
Identifiers:
SMILES:
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2ccccc21
InChI:
InChI=1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)32-26-18-20(30(7-3)8-4)14-16-24(26)28(23)22-12-10-9-11-21(22)27(31)33-28/h9-18H,5-8H2,1-4H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 442.56 g/mol | CAS Common Chemistry |
| 442.5590000000002 g/mol | RDKit | |
| 442.2256428199999 g/mol | RDKit | |
| Canonical SMILES | O=C1OC2(C3=CC=C(C=C3OC4=CC(=CC=C42)N(CC)CC)N(CC)CC)C=5C=CC=CC15 | CAS Common Chemistry |
| InChI | InChI=1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)32-26-18-20(30(7-3)8-4)14-16-24(26)28(23)22-12-10-9-11-21(22)27(31)33-28/h9-18H,5-8H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DZNJMLVCIZGWSC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Solvent Red 49 | CAS Common Chemistry |
| Heavy Atom Count | 33 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 42.010000000000005 Ų | RDKit |
| LogP | 5.947000000000005 | RDKit |
| Molar Refractivity | 131.8195 | RDKit |
