Basic information
- CAS
29278-09-9- Standard SMILES
CCOC(=O)c1c(-c2ccccc2)noc1N- InChIKey
RXAUWXZMIWBIES-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- 5-Amino-3-phenyl-isoxazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 5-amino-3-phenyl-1,2-oxazole-4-carboxylate
- English name
- 5-Amino-3-phenyl-4-isoxazolecarboxylic acid ethyl ester
- Molecular formula
- C12H12N2O3
- Molecular weight
- 232.24
Names & synonyms
29278-09-95-AMINO-3-PHENYL-ISOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTEREthyl 5-amino-3-phenylisoxazole-4-carboxylateethyl 5-amino-3-phenyl-1,2-oxazole-4-carboxylateMFCD100087964-Isoxazolecarboxylic acid, 5-amino-3-phenyl-, ethyl ester5-Amino-3-phenyl-4-isoxazolecarboxylic acid ethyl esterNSC137663SCHEMBL3940991DTXSID303005853-phenyl-carbethoxy-5-aminoisoxazoleNSC-137663
Show more names
SB36418BS-50100DB-083106CS-0341684Ethyl5-amino-3-phenylisoxazole-4-carboxylateE78061ethyl 5-amino-3-phenyl-isoxazole-4-carboxylateF736937
Database identifiers
- CAS
29278-09-9- PubChem CID
- 283272
- DTXSID
DTXSID30300585
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers11 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
天津泛德科技发展有限公司15620920485; 15620920485 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海智乾生物科技有限公司[email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
合肥钼凯医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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