5-Ethyl-5,4'-tolylbarbituric acid
Basic information
- CAS
52584-39-1- Standard SMILES
CCC1(c2ccc(C)cc2)C(=O)NC(=O)NC1=O- InChIKey
ZYJDWGKPBQDCBX-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Names & identifiers
- Preferred name
- 5-Ethyl-5,4'-tolylbarbituric acid
- IUPAC
- 5-ethyl-5-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-Ethyl-5-p-tolylbarbituric acid 99+%
- Molecular formula
- C13H14N2O3
- Molecular weight
- 246.26
Names & synonyms
5-Ethyl-5,4'-tolylbarbituric acidEINECS 258-023-9RefChem:535546258-023-95-Ethyl-5-p-tolylbarbituric acid52584-39-1Tolylbarbital5-ethyl-5-(4-methylphenyl)-1,3-diazinane-2,4,6-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(4-methylphenyl)-5-Ethyl-5-(p-tolyl)-barbituric acid; 5-Desethyl-5-p-tolylbarbital; Tolybarb; Tolylbarbital; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(4-methylphenyl)-SCHEMBL2615290DTXSID90967017
Show more names
TolylbarbTolybarbitalp-MethylphenobarbitalBarbituric Acid Impurity 35-Ethyl-5-p-tolylbarbituric acid 99+%
Barbituric acid, 5-ethyl-5-p-tolyl5-ethyl-5-(p-tolyl)-barbituric acidAKOS015916284NS00059101ST50994554Tolybarb (5-Ethyl-5-(p-tolyl)-barbituric Acid)5-Ethyl-4,6-dihydroxy-5-(4-methylphenyl)pyrimidin-2(5H)-one5-ethyl-5-(4-methylphenyl)-1,3,5-trihydropyrimidine-2,4,6-trione
Database identifiers
- CAS
52584-39-1- PubChem CID
- 104245
- DTXSID
DTXSID90967017- EC Number
- 258-023-9
- Nikkaji
- J337I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Melting point
- 177 · 177-178 °C(lit.)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- pka
- 7.63 · 7.63±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesTolylbarbital, is potentially an anticonvulsant drug.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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