Salacetamide
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Basic information
- CAS
487-48-9- Standard SMILES
CC(=O)NC(=O)c1ccccc1O- InChIKey
JZWFDVDETGFGFC-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Names & identifiers
- Preferred name
- Salacetamide
- IUPAC
- N-acetyl-2-hydroxybenzamide
- English name
- N-ACETYLSALICYLAMIDE
- Molecular formula
- C9H9NO3
- Molecular weight
- 179.17
Names & synonyms
N-Acetyl-2-hydroxybenzamideSalacetamideN-Acetylsalicylamide487-48-9SalicylNacemideArthrisinEthrisinRixamoneLabazylAcetsalicylamideBenzamide, N-acetyl-2-hydroxy-
Show more names
NSC40153NSC 40153NSC-40153
SalacetamidaSalacetamidumActylamideL-749SALICYLAMIDE, N-ACETYL-Salacetamide [INN:DCF]Salacetamidum [INN-Latin]2-Hydroxy-N-acetylbenzamide
Database identifiers
- CAS
487-48-9- PubChem CID
- 10252
- DTXSID
DTXSID701023597- ChEMBL
CHEMBL1709559- ChEBI
CHEBI:134815- UNII
- 7G29CRR596
- EC Number
- 207-656-9
- Nikkaji
- J54.305E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Melting point
- 148 ° · 148°
- Boiling point
- 375.4 · 375.4±34.0 °C(Predicted)
- Density
- 1.39 g/cm3 · 1.39 g/cm3
- storage temp.
- 2 · 2-8°C
- form
- Solid
- pka
- 7.81 · 7.81±0.30(Predicted)
- color
- White to off-white
- CAS DataBase Reference
- 487 · 487-48-9
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 G29CRR596 · 7G29CRR596
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 261 · P261-P305+P351+P338
- Toxicity
- 50 · mouse,LD50,oral,> 5gm/kg (5000mg/kg),German Offenlegungsschrift Patent Document. Vol. #2440378,
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- mouse,LD50,oral,> 5gm/kg (5000mg/kg),German Offenlegungsschrift Patent Document. Vol. #2440378,
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesSalacetamide (N-Acetylsalicylamide) is the stable isomer of O-Acetylsalicylamide, is a product for proteomics research[1].
Additional notes
DefinitionChEBI: Salacetamide is a member of salicylamides.
Suppliers
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Compound notes
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