N-(2-Ethoxy-phenyl)-2-(3-oxo-1,2,3,4-tetrahydro-quinoxalin-2-yl)-acetamide
Basic information
- CAS
312713-89-6- Standard SMILES
CCOc1ccccc1NC(=O)CC1Nc2ccccc2NC1=O- InChIKey
KJDGWDOKFNAOLF-UHFFFAOYSA-N- Molecular formula
- C18H19N3O3
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.14264148
Names & identifiers
- Preferred name
- N-(2-Ethoxy-phenyl)-2-(3-oxo-1,2,3,4-tetrahydro-quinoxalin-2-yl)-acetamide
- IUPAC
- N-(2-ethoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
- English name
- N-(2-ethoxyphenyl)-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide
- Molecular formula
- C18H19N3O3
- Molecular weight
- 325.36
Names & synonyms
312713-89-6N-(2-Ethoxy-phenyl)-2-(3-oxo-1,2,3,4-tetrahydro-quinoxalin-2-yl)-acetamideN-(2-ethoxyphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamideN-(2-ethoxyphenyl)-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamideSMR000009173MLS000070191Oprea1_174764Oprea1_536472MLS000100543CHEMBL1454452HMS2304A09SBB039158
Show more names
2-Quinoxalineacetamide, N-(2-ethoxyphenyl)-1,2,3,4-tetrahydro-3-oxo-
STK035617AKOS000267351AKOS016039018NCGC00032980-02EU-0075500ST50146623AB00401970-09AF-399/09419057
Database identifiers
- CAS
312713-89-6- PubChem CID
- 655207
- ChEMBL
CHEMBL1454452- EC Number
- 153-294-9
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 457
Physicochemical properties
- Boiling point
- 602 · 602.0±45.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- pka
- 12.84 · 12.84±0.40(Predicted)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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