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Oil Blue A
CAS: 14233-37-5 | C20H22N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14233-37-5
Molecular Formula:
C20H22N2O2
Molecular Mass:
322.41 g/mol
Names and Synonyms:
Oil Blue A
9,10-Anthracenedione, 1,4-bis[(1-methylethyl)amino]-
Anthraquinone, 1,4-bis(isopropylamino)-
1,4-Bis[(1-methylethyl)amino]-9,10-anthracenedione
1,4-Bis(isopropylamino)anthraquinone
Brilliant Oil Blue BGS
Duranol Blue PP
Waxoline Blue AP
C.I. Solvent Blue 36
Oil Blue A
C.I. Disperse Blue 134
Solvent Blue 36
Waxoline Blue AP-FW
Disperse Blue 134
Sumiplast Blue OA
C.I. 61551
Sublaprint Blue 70038
Blue AP-FW
1,4-Bis(N-isopropylamino)anthraquinone
NSC 58039
Orient Oil Blue 630
Oil Blue 630
Oplas Blue 630
Plast Blue 8580
Morplas Blue 1003
Unisol blue
1,4-Bis(propan-2-ylamino)anthracene-9,10-dione
Unisol Blue AS
Identifiers:
SMILES:
CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1C2=O
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
Key Properties
Melting Point
176-178 °C
CAS Common Chemistry
Density
1.17 g/cm³
CAS Common Chemistry
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 | 322.41 g/mol | CAS Common Chemistry |
| 322.408 g/mol | RDKit | |
| 322.16812794399993 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 |
| Oil Blue A | 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 |
| LogP | 4.1026000000000025 | RDKit |
| Molar Refractivity | 97.26640000000005 | RDKit |
