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Pigment Violet 29
CAS: 81-33-4 | C24H10N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
81-33-4
Molecular Formula:
C24H10N2O4
Molecular Mass:
390.35 g/mol
Names and Synonyms:
Pigment Violet 29
NSC 16842
Anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone
3,4,9,10-Perylenetetracarboxylic 3,4:9,10-diimide
Perylimid
3,4,9,10-Perylenetetracarboxylic acid diimide
3,4,9,10-Perylenetetracarboxylic diimide
C.I. Pigment Brown 26
C.I. Pigment Violet 29
PV-Fast Bordeaux B
Euvinyl Maroon 478
C.I. 71129
PTCDI
Paliogen Red Violet FM
Pigment Violet 29
Perrindo Violet V 4050
Perrindo Violet 29V4050
Lumogen Black FK 4281
Irgazin Violet 129
Perrindo Violet 29
Paliogen Red Violet K 5011
Paliogen Red Violet K 5411
Lumogen Black K 0088
Identifiers:
SMILES:
O=C1N=C(O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)N=C5O
InChI:
InChI=1S/C24H10N2O4/c27-21-13-5-1-9-10-2-6-15-20-16(24(30)26-23(15)29)8-4-12(18(10)20)11-3-7-14(22(28)25-21)19(13)17(9)11/h1-8H,(H,25,27,28)(H,26,29,30)
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 | 390.35 g/mol | CAS Common Chemistry |
| 390.35400000000016 g/mol | RDKit | |
| 390.0640568 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Pigment_Violet_29 | CAS Common Chemistry |
| Canonical SMILES | O=C1NC(=O)C=2C=CC=3C4=CC=C5C(=O)NC(=O)C6=CC=C(C7=CC=C1C2C73)C4=C65 | CAS Common Chemistry |
| InChI | InChI=1S/C24H10N2O4/c27-21-13-5-1-9-10-2-6-15-20-16(24(30)26-23(15)29)8-4-12(18(10)20)11-3-7-14(22(28)25-21)19(13)17(9)11/h1-8H,(H,25,27,28)(H,26,29,30) | CAS Common Chemistry |
| InChI Key | InChIKey=KJOLVZJFMDVPGB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pigment Violet 29 | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 99.32 Ų | RDKit |
| LogP | 4.654000000000003 | RDKit |
| Molar Refractivity | 114.64460000000007 | RDKit |
