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Molecule
Pigment Violet 29
CAS: 81-33-4 · C24H10N2O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 81-33-4
- Molecular Formula
- C24H10N2O4
- Molecular Mass
- 390.35 g/mol
Identifiers
CAS Registry Number
81-33-4
SMILES
O=C1N=C(O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)N=C5O
InChI Key
KJOLVZJFMDVPGB-UHFFFAOYSA-N
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)
Names and Synonyms
- Pigment Violet 29 Synonym
- NSC 16842 Synonym
- Anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone Synonym
- 3,4,9,10-Perylenetetracarboxylic 3,4:9,10-diimide Synonym
- Perylimid Synonym
- 3,4,9,10-Perylenetetracarboxylic acid diimide Synonym
- 3,4,9,10-Perylenetetracarboxylic diimide Synonym
- C.I. Pigment Brown 26 Synonym
- C.I. Pigment Violet 29 Synonym
- PV-Fast Bordeaux B Synonym
- Euvinyl Maroon 478 Synonym
- C.I. 71129 Synonym
- PTCDI Synonym
- Paliogen Red Violet FM Synonym
- Pigment Violet 29 Synonym
- Perrindo Violet V 4050 Synonym
- Perrindo Violet 29V4050 Synonym
- Lumogen Black FK 4281 Synonym
- Irgazin Violet 129 Synonym
- Perrindo Violet 29 Synonym
- Paliogen Red Violet K 5011 Synonym
- Paliogen Red Violet K 5411 Synonym
- Lumogen Black K 0088 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 390.35 g/mol | CAS Common Chemistry |
| 390.35400000000016 g/mol | RDKit | |
| 390.354 g/mol | RDKit | |
| 392.37 g/mol | chempirical lib | |
| 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 |
| 4.654 | RDKit | |
| Molar Refractivity | 114.64460000000007 cm³/mol | RDKit |
| Ring Count | 7 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 390.0640568 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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 = 390.35 g/mol. Edit any field — others recompute live.
