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Molecule
Oil Blue 35
CAS: 17354-14-2 · C22H26N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 17354-14-2
- Molecular Formula
- C22H26N2O2
- Molecular Mass
- 350.46 g/mol
Identifiers
CAS Registry Number
17354-14-2
SMILES
CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1C2=O
InChI Key
OCQDPIXQTSYZJL-UHFFFAOYSA-N
InChI
InChI=1S/C22H26N2O2/c1-3-5-13-23-17-11-12-18(24-14-6-4-2)20-19(17)21(25)15-9-7-8-10-16(15)22(20)26/h7-12,23-24H,3-6,13-14H2,1-2H3
Names and Synonyms
- Oil Blue 35 Synonym
- 9,10-Anthracenedione, 1,4-bis(butylamino)- Synonym
- Anthraquinone, 1,4-bis(butylamino)- Synonym
- 1,4-Bis(butylamino)-9,10-anthracenedione Synonym
- 1,4-Bis(butylamino)-9,10-anthraquinone Synonym
- 1,4-Bis(butylamino)anthraquinone Synonym
- C.I. Solvent Blue 35 Synonym
- Sudan Blue II Synonym
- C.I. 61554 Synonym
- C Ext. Blue 12 Synonym
- Kayaset Blue N Synonym
- Orient Oil Blue 2N Synonym
- Oil Soluble Blue 11 Synonym
- Sico Fat Blue 50401N Synonym
- Sudan Blue II Base Synonym
- SOT-Blue 2 Synonym
- Aizen SOT Blue 2 Synonym
- Solvent Blue 35 Synonym
- Sudan Blue 670 Synonym
- Hytherm Blue B 200 Synonym
- Oil Blue 2N Synonym
- Sumiplast Blue S Synonym
- Fat Blue B Synonym
- Oplas Blue 2N Synonym
- Sudan Blue 2 Synonym
- Oplas Blue IIn Synonym
- Opurous Blue IIN Synonym
- Fat Blue B 01 Synonym
- Blue 2N Synonym
- Oil Blue 5502 Synonym
- Orimax Blue 2N Synonym
- Orcosolve Blue B Synonym
- KP Plast Blue BR Synonym
- Oil Blue B Synonym
- Oil Blue 35 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 350.46 g/mol | CAS Common Chemistry |
| 350.462 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Oil_Blue_35 | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NCCCC)C13)NCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C22H26N2O2/c1-3-5-13-23-17-11-12-18(24-14-6-4-2)20-19(17)21(25)15-9-7-8-10-16(15)22(20)26/h7-12,23-24H,3-6,13-14H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OCQDPIXQTSYZJL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 134 °C | CAS Common Chemistry |
| Name | Solvent Blue 35 | CAS Common Chemistry |
| Oil Blue 35 | CAS Common Chemistry | |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 58.199999999999996 Ų | RDKit |
| 58.2 Ų | RDKit | |
| LogP | 4.886000000000004 | RDKit |
| 4.886 | RDKit | |
| Molar Refractivity | 106.54440000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3636 | RDKit |
| 0.36 | chempirical lib | |
| Exact Mass | 350.19942807199993 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 350.46 g/mol. Edit any field — others recompute live.
