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Phenylbutazone

CAS: 50-33-9 | C19H20N2O2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 50-33-9
Molecular Formula: C19H20N2O2
Molecular Weight: 308.3810000000001 g/mol

Names and Synonyms:

Phenylbutazone
Buzon
Antadol
Ia-But
Flexazone
Alindor
Fenylbutazon
1,2-Diphenyl-3,5-dioxo-4-butylpyrazolidine
1,2-Diphenyl-3,5-dioxo-4-n-butylpyrazolidine
Pyrabutol
VAC-10
Butadione
Butadion
Ticinil
Shigrodin
Reumuzol
Reudox
Reudo
Pirarreumol B
Phenylbutazone
Phebuzine
Fenibutazona
1,2-Diphenyl-4-butyl-3,5-pyrazolidinedione
Diphenylbutazone
Diphebuzol
3,5-Dioxo-1,2-diphenyl-4-n-butylpyrazolidine
4-Butyl-1,2-diphenylpyrazolidine-3,5-dione
4-Butyl-1,2-diphenyl-3,5-dioxopyrazolidine
Butidiona
Butazolidine
Butazolidin
Butapirazol
Butalidon
Artrizin
G 13,871
4-Butyl-1,2-diphenyl-3,5-pyrazolidinedione
3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-
Phen-Buta
Butatron
Tevcodyne
NSC 25134
Alkazone
Phenylbutazon
Equipalazone
Butapirazole
Kadol
Artropan
Todalgil
Reumazin
Arthrizon
Butazina
Butartrina
4-n-Butyl-1,2-diphenyl-3,5-pyrazolidinedione
Uzone
Bizolin 200
Mephabutazon
Robizone
Fenibutal
Tencodyne
Butacote
Butoz
Benzone
Betazed
Azolid
Zolaphen
Fenilbutina
Bunetzone
Fenotone
Ecobutazone
Anuspiramin
R-3-ZON

Identifiers:

SMILES:
CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChI:
InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Category Property Value Source
Physical Properties molecular_mass 308.38 g/mol Legacy Database
density 1.19 g/cm³ Legacy Database
cas-canonical-smile O=C1N(C=2C=CC=CC2)N(C=3C=CC=CC3)C(=O)C1CCCC Legacy Database
cas-density 1.19 g/cm3 Legacy Database
cas-inchi InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3 Legacy Database
cas-inchi-key InChIKey=VYMDGNCVAMGZFE-UHFFFAOYSA-N Legacy Database
cas-melting-point 105 °C Legacy Database
cas-name Phenylbutazone Legacy Database
LogP 3.7878000000000025 RDKit
Molecular Molecular Weight 308.3810000000001 g/mol RDKit
Exact Exact Molecular Weight 308.15247787999994 g/mol RDKit
Heavy Heavy Atom Count 23 count RDKit
Hydrogen Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 0 count RDKit
Rotatable Rotatable Bonds 5 count RDKit
Aromatic Aromatic Ring Count 2 count RDKit
Topological Topological Polar Surface Area 40.620000000000005 Ų RDKit
Molar Molar Refractivity 90.87100000000005 RDKit

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