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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
Names and Synonyms:
Oil Blue 35
9,10-Anthracenedione, 1,4-bis(butylamino)-
Anthraquinone, 1,4-bis(butylamino)-
1,4-Bis(butylamino)-9,10-anthracenedione
1,4-Bis(butylamino)-9,10-anthraquinone
1,4-Bis(butylamino)anthraquinone
C.I. Solvent Blue 35
Sudan Blue II
C.I. 61554
C Ext. Blue 12
Kayaset Blue N
Orient Oil Blue 2N
Oil Soluble Blue 11
Sico Fat Blue 50401N
Sudan Blue II Base
SOT-Blue 2
Aizen SOT Blue 2
Solvent Blue 35
Sudan Blue 670
Hytherm Blue B 200
Oil Blue 2N
Sumiplast Blue S
Fat Blue B
Oplas Blue 2N
Sudan Blue 2
Oplas Blue IIn
Opurous Blue IIN
Fat Blue B 01
Blue 2N
Oil Blue 5502
Orimax Blue 2N
Orcosolve Blue B
KP Plast Blue BR
Oil Blue B
Oil Blue 35
Identifiers:
SMILES:
CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1C2=O
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
Key Properties
Melting Point
134 °C
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 | 350.46 g/mol | CAS Common Chemistry |
| 350.462 g/mol | RDKit | |
| 350.19942807199993 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 |
| LogP | 4.886000000000004 | RDKit |
| Molar Refractivity | 106.54440000000005 | RDKit |
