Ethyl 5-aminobenzo[d]oxazole-2-carboxylate
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Basic information
- CAS
1159515-88-4- Standard SMILES
CCOC(=O)c1nc2cc(N)ccc2o1- InChIKey
OXTDWVGRGVECJL-UHFFFAOYSA-N- Molecular formula
- C10H10N2O3
- Average molar mass
- 206.2 g/mol
Names & identifiers
- Preferred name
- Ethyl 5-aminobenzo[d]oxazole-2-carboxylate
- IUPAC
- ethyl 5-amino-1,3-benzoxazole-2-carboxylate
- English name
- ethyl 5-aminobenzo[d]oxazole-2-carboxylate
- Molecular formula
- C10H10N2O3
- Molecular weight
- 206.2
Names & synonyms
Ethyl 5-aminobenzo[d]oxazole-2-carboxylate1159515-88-4Ethyl 5-aminobenzo[d]oxazole-2-c arboxylateMFCD11856795ethyl 5-amino-1,3-benzoxazole-2-carboxylateSCHEMBL29259228SCHEMBL30601063Ethyl5-aminobenzo[d]oxazole-2-carboxylateF14090F5279572-Benzoxazolecarboxylic acid, 5-amino-, ethyl ester
Database identifiers
- CAS
1159515-88-4
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 362.8 · 362.8±34.0 °C(Predicted)
- Density
- 1.319 · 1.319±0.06 g/cm3(Predicted)
- pka
- 5.99 · 5.99±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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