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2,4-Dihydroxy-N-(2-Hydroxyethyl)Benzamide
CAS: 24207-41-8 | C9H11NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24207-41-8
Molecular Formula:
C9H11NO4
Molecular Mass:
197.19 g/mol
Names and Synonyms:
2,4-Dihydroxy-N-(2-Hydroxyethyl)Benzamide
β-Resorcylamide, N-(2-hydroxyethyl)-
Benzamide, 2,4-dihydroxy-N-(2-hydroxyethyl)-
2,4-Dihydroxy-N-(2-hydroxyethyl)benzamide
N-(β-Hydroxyethyl)-β-resorcylamide
2,4-Resorcylic acid ethanolamide
β-Resorcylic ethanolamide
Coupler RX
NSC 379528
Identifiers:
SMILES:
OCCN=C(O)c1ccc(O)cc1O
InChI:
InChI=1S/C9H11NO4/c11-4-3-10-9(14)7-2-1-6(12)5-8(7)13/h1-2,5,11-13H,3-4H2,(H,10,14)
Key Properties
Melting Point
167 °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 | 197.19 g/mol | CAS Common Chemistry |
| 197.18999999999997 g/mol | RDKit | |
| 197.068807832 g/mol | RDKit | |
| Canonical SMILES | O=C(NCCO)C1=CC=C(O)C=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO4/c11-4-3-10-9(14)7-2-1-6(12)5-8(7)13/h1-2,5,11-13H,3-4H2,(H,10,14) | CAS Common Chemistry |
| InChI Key | InChIKey=HHSJOVPBCHTADG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 167 °C | CAS Common Chemistry |
| Name | 2,4-Dihydroxy-N-(2-hydroxyethyl)benzamide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 93.28000000000002 Ų | RDKit |
| LogP | 0.3946999999999999 | RDKit |
| Molar Refractivity | 50.89020000000003 | RDKit |
