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Molecule
Oil Blue A
CAS: 14233-37-5 · C20H22N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 14233-37-5
- Molecular Formula
- C20H22N2O2
- Molecular Mass
- 322.41 g/mol
Identifiers
CAS Registry Number
14233-37-5
SMILES
CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1C2=O
InChI Key
BLFZMXOCPASACY-UHFFFAOYSA-N
InChI
InChI=1S/C20H22N2O2/c1-11(2)21-15-9-10-16(22-12(3)4)18-17(15)19(23)13-7-5-6-8-14(13)20(18)24/h5-12,21-22H,1-4H3
Names and Synonyms
- Oil Blue A Common Name
- 9,10-Anthracenedione, 1,4-bis[(1-methylethyl)amino]- Synonym
- Anthraquinone, 1,4-bis(isopropylamino)- Synonym
- 1,4-Bis[(1-methylethyl)amino]-9,10-anthracenedione Synonym
- 1,4-Bis(isopropylamino)anthraquinone Synonym
- Brilliant Oil Blue BGS Synonym
- Duranol Blue PP Synonym
- Waxoline Blue AP Synonym
- C.I. Solvent Blue 36 Synonym
- Oil Blue A Synonym
- C.I. Disperse Blue 134 Synonym
- Solvent Blue 36 Synonym
- Waxoline Blue AP-FW Synonym
- Disperse Blue 134 Synonym
- Sumiplast Blue OA Synonym
- C.I. 61551 Synonym
- Sublaprint Blue 70038 Synonym
- Blue AP-FW Synonym
- 1,4-Bis(N-isopropylamino)anthraquinone Synonym
- NSC 58039 Synonym
- Orient Oil Blue 630 Synonym
- Oil Blue 630 Synonym
- Oplas Blue 630 Synonym
- Plast Blue 8580 Synonym
- Morplas Blue 1003 Synonym
- Unisol blue Synonym
- 1,4-Bis(propan-2-ylamino)anthracene-9,10-dione Synonym
- Unisol Blue AS Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 322.41 g/mol | CAS Common Chemistry |
| 322.408 g/mol | RDKit | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.165 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Oil_Blue_A | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NC(C)C)C13)NC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H22N2O2/c1-11(2)21-15-9-10-16(22-12(3)4)18-17(15)19(23)13-7-5-6-8-14(13)20(18)24/h5-12,21-22H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BLFZMXOCPASACY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 176-178 °C | CAS Common Chemistry |
| Name | 1,4-Bis[(1-methylethyl)amino]-9,10-anthracenedione | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 58.199999999999996 Ų | RDKit |
| 58.2 Ų | RDKit | |
| LogP | 4.1026000000000025 | RDKit |
| 4.1026 | RDKit | |
| Molar Refractivity | 97.26640000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 322.16812794399993 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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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.
External Resources
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MW = 322.41 g/mol; density = 1.170 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H22N2O2.
