5-(2-Hydroxy-1-naphthylmethylene)barbituric acid
Basic information
- CAS
66386-19-4- Standard SMILES
O=C1C=Cc2ccccc2C1=Cc1c(O)[nH]c(=O)[nH]c1=O- InChIKey
GWISPBKSLHNIKB-UHFFFAOYSA-N- Molecular formula
- C15H10N2O4
- Average molar mass
- 282.25 g/mol
- Monoisotopic mass
- 282.0640568
Names & identifiers
- Preferred name
- 5-(2-Hydroxy-1-naphthylmethylene)barbituric acid
- IUPAC
- 6-hydroxy-5-[(2-oxonaphthalen-1-ylidene)methyl]-1H-pyrimidine-2,4-dione
Names & synonyms
5-(2-HYDROXY-1-NAPHTHYLMETHYLENE)BARBITURIC ACID66386-19-4RefChem:529531651-742-25-[(2-hydroxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trioneSCHEMBL30019848
Database identifiers
- CAS
66386-19-4- PubChem CID
- 4117239
- EC Number
- 651-742-2
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 615
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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