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Deltamine
CAS: 2152-34-3 | C9H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2152-34-3
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.17499999999998 g/mol
Names and Synonyms:
Deltamine
Synonym
Senior
Synonym
Nitan
Synonym
Volital
Synonym
Pemoline
Synonym
4(5H)-Oxazolone, 2-amino-5-phenyl-
Synonym
2-Oxazolin-4-one, 2-amino-5-phenyl-
Synonym
4-Oxazolidinone, 2-imino-5-phenyl-
Synonym
2-Amino-5-phenyl-4(5H)-oxazolone
Synonym
Azoxodone
Synonym
2-Imino-5-phenyl-4-oxazolidinone
Synonym
Kethamed
Synonym
Okodon
Synonym
Pemoline
Synonym
5-Phenyl-2-imino-4-oxooxazolidine
Synonym
Tradon
Synonym
Tradone
Synonym
Pemolin
Synonym
Pondex
Synonym
5-Phenyl-2-iminooxazolidin-4-one
Synonym
2-Imino-4-oxo-5-phenyloxazolidine
Synonym
2-Amino-5-phenyl-2-oxazolin-4-one
Synonym
2-Imino-4-keto-5-phenyltetrahydrooxazole
Synonym
Pheniminooxazolidinone
Synonym
Phenoxazole
Synonym
Phenylisohydantoin
Synonym
Phenylpseudohydantoin
Synonym
LA 956
Synonym
Yh 1
Synonym
PIO
Synonym
Azoksodon
Synonym
Dantromin
Synonym
Azoxodon
Synonym
Centramin
Synonym
Deltamin
Synonym
Stimul
Synonym
Ronyl
Synonym
Hyton
Synonym
Sistra
Synonym
Pioxol
Synonym
Stimulol
Synonym
Sigmadyn
Synonym
NSC 25159
Synonym
Hyton Asa
Synonym
NSC 169499
Synonym
2-Amino-5-phenyl-1,3-oxazol-4(5H)-one
Synonym
Fenoxazol
Synonym
2-Amino-5-phenyl-4-oxazolone
Synonym
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)
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
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 176.058577496 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 13 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 65.67 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.64917 | RDKit |
| molecular_mass | 176.17 g/mol | Legacy Database |
| cas-canonical-smile | O=C1N=C(OC1C=2C=CC=CC2)N None | Legacy Database |
| cas-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) None | Legacy Database |
| cas-inchi-key | InChIKey=NRNCYVBFPDDJNE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 256 °C (decomp) None | Legacy Database |
| cas-name | Pemoline None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 48.058500000000016 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 176.17499999999998 g/mol | RDKit |