N-Allylsalicylamide
Basic information
- CAS
118-62-7- Standard SMILES
C=CCNC(=O)c1ccccc1O- InChIKey
IECWHJOALGVHPA-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- N-Allylsalicylamide
- IUPAC
- 2-hydroxy-N-prop-2-enylbenzamide
- English name
- N-allylsalicylamide
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
N-Allylsalicylamide118-62-7EINECS 204-266-0DTXSID50151995NSC 158443RefChem:828965DTXCID9074486204-266-0n-allyl-2-hydroxybenzamide2-hydroxy-N-prop-2-enylbenzamide2-hydroxy-N-(prop-2-en-1-yl)benzamideNSC-158443
Show more names
2-Hydroxy-N-(2-propenyl)benzamideBenzamide, 2-hydroxy-N-2-propen-1-yl-
NSC158443Salicylamide, N-allyl-9PVD4YKJ9KN-allyl-2-hydroxy-benzamideSCHEMBL3459359IECWHJOALGVHPA-UHFFFAOYSA-N2-Hydroxy-N-2-propen-1-ylbenzamideBenzamide, 2-hydroxy-N-2-propenyl-
Database identifiers
- CAS
118-62-7- PubChem CID
- 67048
- DTXSID
DTXSID50151995- UNII
- 9PVD4YKJ9K
- EC Number
- 204-266-0
- Nikkaji
- J297.762A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- Melting point
- 52 °C · 52 °C
- Boiling point
- 134 · 134-136 °C(Press: 1 Torr)
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- pka
- 8.49 · 8.49±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H335-H302
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H315-H335-H302
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesN-allyl-2-hydroxybenzamide is an intermediate in the synthesis of mersalyl acid sodium salt (M257750). Mersalyl Acid Sodium Salt is used in biological studies to evaluate its effect on inositol triphosphate receptor binding and ion channel function.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…