Methyl 2-[(ethoxycarbonyl)amino]benzoate
Basic information
- CAS
83846-67-7- Standard SMILES
CCOC(=O)Nc1ccccc1C(=O)OC- InChIKey
XSEONJBZTZZGCV-UHFFFAOYSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.0844579
Names & identifiers
- Preferred name
- Methyl 2-[(ethoxycarbonyl)amino]benzoate
- IUPAC
- methyl 2-(ethoxycarbonylamino)benzoate
- English name
- methyl 2-[(ethoxycarbonyl)amino]benzoate
- Molecular formula
- C11H13NO4
- Molecular weight
- 223.23
Names & synonyms
83846-67-7methyl 2-[(ethoxycarbonyl)amino]benzoatemethyl 2-(ethoxycarbonylamino)benzoateMethyl 2-((ethoxycarbonyl)amino)benzoateMFCD01846933benzoic acid, 2-[(ethoxycarbonyl)amino]-, methyl ester2-(Ethoxycarbonylamino)benzoic acid methyl estermethyl 2-ethoxycarbonylaminobenzoateEINECS 281-045-5Maybridge3_0047978TP3YPJ829Benzoic acid,2-[(ethoxycarbonyl)amino]-, methyl ester
Show more names
2-(carbethoxyamino)benzoic acid methyl ester
SCHEMBL4474267SCHEMBL11370286DTXSID00232743XSEONJBZTZZGCV-UHFFFAOYSA-NHMS1444K01ALBB-023078CCG-54757SBB071539
Database identifiers
- CAS
83846-67-7- PubChem CID
- 695047
- DTXSID
DTXSID00232743- UNII
- 8TP3YPJ829
- EC Number
- 281-045-5
- Nikkaji
- J326.902G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 62 °C · 62 °C
- Boiling point
- 291.1 · 291.1±23.0 °C(Predicted)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- pka
- 13.25 · 13.25±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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