Methyl 3-(4-aminophenoxy)thiophene-2-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- CAS
103790-38-1- Standard SMILES
COC(=O)c1sccc1Oc1ccc(N)cc1- InChIKey
QBMUTHMQUMANOV-UHFFFAOYSA-N- Molecular formula
- C12H11NO3S
- Average molar mass
- 249.29 g/mol
- Monoisotopic mass
- 249.04596439
Names & identifiers
- Preferred name
- Methyl 3-(4-aminophenoxy)thiophene-2-carboxylate
- IUPAC
- methyl 3-(4-aminophenoxy)thiophene-2-carboxylate
- English name
- METHYL 3-(4-AMINOPHENOXY)-2-THIOPHENECARBOXYLATE
- Molecular formula
- C12H11NO3S
- Molecular weight
- 249.29
Names & synonyms
103790-38-1methyl 3-(4-aminophenoxy)thiophene-2-carboxylatemethyl 3-(4-aminophenoxy)-2-thiophenecarboxylateMFCD04117804methyl 3-(4-aminophenoxy)-2-thiophene carboxylateDTXSID70377110SBB100575AKOS0050699842X-07282-Thiophenecarboxylic acid, 3-(4-aminophenoxy)-, methyl ester
Database identifiers
- CAS
103790-38-1- PubChem CID
- 2763705
- DTXSID
DTXSID70377110
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 102 · 102-105°C
- Boiling point
- 396.4 · 396.4±37.0 °C(Predicted)
- Density
- 1.314 · 1.314±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.6 · 4.60±0.10(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…