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Pigment Yellow 151
CAS: 31837-42-0 | C18H15N5O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
31837-42-0
Molecular Formula:
C18H15N5O5
Molecular Mass:
381.35 g/mol
Names and Synonyms:
Pigment Yellow 151
Benzoic acid, 2-[2-[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]diazenyl]-
Benzoic acid, 2-[[1-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]azo]-
2-[2-[1-[[(2,3-Dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-oxopropyl]diazenyl]benzoic acid
C.I. Pigment Yellow 151
Hostaperm Yellow H 4G
Ket Yellow 416
Pigment Yellow 151
Symuler Fast Yellow 4GO
5-[2-[(o-Carboxyphenyl)azo]acetoacetamido]-2-benzimidazolinone
Hostaperm Yellow H 4G-N
Chromofine Yellow 307
Irgazin Yellow 2088
SJD-Y 251
C.I. PY 151
PY 151
Ink Jet H 4G-LV 3853
Lysopac Yellow 5115C
Cromophtal Yellow L 1061HD
Ink Jet Yellow H 4G-VP3853
Hostaperm H 4G
Hostaperm H 4G70
H 4G70
Identifiers:
SMILES:
CC(=O)C(N=Nc1ccccc1C(=O)O)C(O)=Nc1ccc2nc(O)[nH]c2c1
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)
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 | 381.35 g/mol | CAS Common Chemistry |
| 381.34800000000007 g/mol | RDKit | |
| 381.1073185800001 g/mol | RDKit | |
| 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 |
| LogP | 3.2962000000000007 | RDKit |
| Molar Refractivity | 99.86860000000003 | RDKit |
