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Pemoline
CAS: 2152-34-3 | C9H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2152-34-3
Molecular Formula:
C9H8N2O2
Molecular Mass:
176.17 g/mol
Names and Synonyms:
Pemoline
4(5H)-Oxazolone, 2-amino-5-phenyl-
2-Oxazolin-4-one, 2-amino-5-phenyl-
4-Oxazolidinone, 2-imino-5-phenyl-
2-Amino-5-phenyl-4(5H)-oxazolone
Azoxodone
2-Imino-5-phenyl-4-oxazolidinone
Kethamed
Okodon
Pemoline
5-Phenyl-2-imino-4-oxooxazolidine
Tradon
Tradone
Pemolin
Pondex
5-Phenyl-2-iminooxazolidin-4-one
2-Imino-4-oxo-5-phenyloxazolidine
2-Amino-5-phenyl-2-oxazolin-4-one
2-Imino-4-keto-5-phenyltetrahydrooxazole
Pheniminooxazolidinone
Phenoxazole
Phenylisohydantoin
Phenylpseudohydantoin
LA 956
Yh 1
PIO
Azoksodon
Dantromin
Azoxodon
Centramin
Deltamin
Stimul
Ronyl
Hyton
Sistra
Pioxol
Stimulol
Sigmadyn
NSC 25159
Hyton Asa
Nitan
Volital
Deltamine
Senior
NSC 169499
2-Amino-5-phenyl-1,3-oxazol-4(5H)-one
Fenoxazol
2-Amino-5-phenyl-4-oxazolone
Identifiers:
SMILES:
N=C1N=C(O)C(c2ccccc2)O1
InChI:
InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)
Key Properties
Melting Point
256 °C (decomp)
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 | 176.17 g/mol | CAS Common Chemistry |
| 176.17499999999998 g/mol | RDKit | |
| 176.058577496 g/mol | RDKit | |
| Canonical SMILES | O=C1N=C(OC1C=2C=CC=CC2)N | CAS Common Chemistry |
| InChI | InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=NRNCYVBFPDDJNE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 256 °C (decomp) | CAS Common Chemistry |
| Name | Pemoline | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 65.67 Ų | RDKit |
| LogP | 1.64917 | RDKit |
| Molar Refractivity | 48.058500000000016 | RDKit |
