Methyl 3-(ethylcarbamoyl)benzoate
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Basic information
- CAS
126926-40-7- Standard SMILES
CCNC(=O)c1cccc(C(=O)OC)c1- InChIKey
NQHDZWZUXLGRST-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- Methyl 3-(ethylcarbamoyl)benzoate
- IUPAC
- methyl 3-(ethylcarbamoyl)benzoate
- English name
- Methyl 3-(ethylcarbaMoyl)benzoate
- Molecular formula
- C11H13NO3
- Molecular weight
- 207.23
Names & synonyms
methyl 3-(ethylcarbamoyl)benzoate126926-40-7Benzoic acid, 3-((ethylamino)carbonyl)-, methyl esterBenzoic acid, 3-[(ethylamino)carbonyl]-, methyl esterMethyl 3-((ethylamino)carbonyl)benzoatemethyl3-(ethylcarbamoyl)benzoateSCHEMBL10789252DTXSID60155343NQHDZWZUXLGRST-UHFFFAOYSA-NMFCD09234740SB77056BS-20433
Show more names
DA-32824CS-0211649
Database identifiers
- CAS
126926-40-7- PubChem CID
- 182774
- DTXSID
DTXSID60155343
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 351.5 · 351.5±25.0 °C(Predicted)
- Density
- 1.125 · 1.125±0.06 g/cm3(Predicted)
- pka
- 14.49 · 14.49±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl 3-(Ethylcarbamoyl)benzoate is an intermediate in the synthesis of N-Ethyl Benzamid-3-carboxylate (E899675). N-Ethyl Benzamid-3-carboxylate is an impurity of Deet (D228500) which is an insect repellent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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