Basic information
- CAS
107752-88-5- Standard SMILES
CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1ccc(Cl)cc1- InChIKey
NAOZUHXAJDKWOV-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO4
- Average molar mass
- 347.8 g/mol
- Monoisotopic mass
- 347.0924357
Names & identifiers
- Preferred name
- ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
- IUPAC
- ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
- English name
- ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
- Molecular formula
- C18H18ClNO4
- Molecular weight
- 347.79
Names & synonyms
ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate107752-88-5ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylateMFCD00812327ZINC00196624Oprea1_500609Oprea1_791582STK827880ZINC02837479AKOS000638350AKOS016339913NCGC00302802-01
Show more names
4H-1-Benzopyran-3-carboxylic acid, 2-amino-4-(4-chlorophenyl)-5,6,7,8-tetrahydro-5-oxo-, ethyl ester
11N-322SCS-0329714ST50005732AB00080038-01AB00080038-02SR-01000408353SR-01000408353-1ethyl 2-amino-4-(4-chlorophenyl)-5-oxo-4H-6,7,8-trihydrochromene-3-carboxylate
Database identifiers
- CAS
107752-88-5- PubChem CID
- 2767688
- Nikkaji
- J2.910.958C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 602
Physicochemical properties
- Melting point
- 183 · 183-184 °C(Solv: ethanol (64-17-5))
- Boiling point
- 540.8 · 540.8±50.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 3.48 · 3.48±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
Ryan Scientific, Inc.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
BIONET-INTER[email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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