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Molecule
Pigment Yellow 151
CAS: 31837-42-0 · C18H15N5O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 31837-42-0
- Molecular Formula
- C18H15N5O5
- Molecular Mass
- 381.35 g/mol
Identifiers
CAS Registry Number
31837-42-0
SMILES
CC(=O)C(N=Nc1ccccc1C(=O)O)C(O)=Nc1ccc2nc(O)[nH]c2c1
InChI Key
YMFWVWDPPIWORA-UHFFFAOYSA-N
InChI
InChI=1S/C18H15N5O5/c1-9(24)15(23-22-12-5-3-2-4-11(12)17(26)27)16(25)19-10-6-7-13-14(8-10)21-18(28)20-13/h2-8,15H,1H3,(H,19,25)(H,26,27)(H2,20,21,28)
Names and Synonyms
- Pigment Yellow 151 Common Name
- Benzoic acid, 2-[2-[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]diazenyl]- Synonym
- Benzoic acid, 2-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]- Synonym
- 2-[2-[1-[[(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]diazenyl]benzoic acid Synonym
- C.I. Pigment Yellow 151 Synonym
- Hostaperm Yellow H 4G Synonym
- Ket Yellow 416 Synonym
- Pigment Yellow 151 Synonym
- Symuler Fast Yellow 4GO Synonym
- 5-[2-[(o-Carboxyphenyl)azo]acetoacetamido]-2-benzimidazolinone Synonym
- Hostaperm Yellow H 4G-N Synonym
- Chromofine Yellow 307 Synonym
- Irgazin Yellow 2088 Synonym
- SJD-Y 251 Synonym
- C.I. PY 151 Synonym
- PY 151 Synonym
- Ink Jet H 4G-LV 3853 Synonym
- Lysopac Yellow 5115C Synonym
- Cromophtal Yellow L 1061HD Synonym
- Ink Jet Yellow H 4G-VP3853 Synonym
- Hostaperm H 4G Synonym
- Hostaperm H 4G70 Synonym
- H 4G70 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 381.35 g/mol | CAS Common Chemistry |
| 381.34800000000007 g/mol | RDKit | |
| 381.348 g/mol | RDKit | |
| 382.356 g/mol | chempirical lib | |
| Canonical SMILES | O=C(O)C=1C=CC=CC1N=NC(C(=O)NC2=CC=C3NC(=O)NC3=C2)C(=O)C | CAS Common Chemistry |
| InChI | InChI=1S/C18H15N5O5/c1-9(24)15(23-22-12-5-3-2-4-11(12)17(26)27)16(25)19-10-6-7-13-14(8-10)21-18(28)20-13/h2-8,15H,1H3,(H,19,25)(H,26,27)(H2,20,21,28) | CAS Common Chemistry |
| InChI Key | InChIKey=YMFWVWDPPIWORA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pigment Yellow 151 | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 160.59 Ų | RDKit |
| 156.27 Ų | chempirical lib | |
| LogP | 3.2962000000000007 | RDKit |
| 3.2962 | RDKit | |
| Molar Refractivity | 99.86860000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| Exact Mass | 381.1073185800001 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 |
|---|
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 = 381.35 g/mol. Edit any field — others recompute live.
