Basic information
- CAS
147891-15-4- Standard SMILES
CCOC(=O)c1ccc(NC(=O)CCCC(=O)[O-])cc1.[Na+]- InChIKey
GZMIZQUOORGYHW-UHFFFAOYSA-M- Molecular formula
- C14H16NNaO5
- Average molar mass
- 301.27 g/mol
- Monoisotopic mass
- 301.09261689
Names & identifiers
- Preferred name
- Sodium 4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}butanoate
- IUPAC
- sodium 5-(4-ethoxycarbonylanilino)-5-oxopentanoate
Names & synonyms
147891-15-4sodium 4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}butanoatesodium 4-((4-(ethoxycarbonyl)phenyl)carbamoyl)butanoateRefChem:887043853-749-8sodium4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}butanoateSodium 5-((4-(ethoxycarbonyl)phenyl)amino)-5-oxopentanoateEN300-26619685
Database identifiers
- CAS
147891-15-4- PubChem CID
- 23674875
- EC Number
- 853-749-8
Properties
Computed structural properties
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 353
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, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
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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