Ethyl 3-amino-4-(1-pyrrolidinyl)benzoate
Completing data — refresh the page later to see the latest
Basic information
- CAS
343594-44-5- Standard SMILES
CCOC(=O)c1ccc(N2CCCC2)c(N)c1- InChIKey
HMKKNIXKPDYFBL-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.13682782
Names & identifiers
- Preferred name
- Ethyl 3-amino-4-(1-pyrrolidinyl)benzoate
- IUPAC
- ethyl 3-amino-4-pyrrolidin-1-ylbenzoate
- English name
- Ethyl 3-amino-4-(1-pyrrolidinyl)benzoate
- Molecular formula
- C13H18N2O2
- Molecular weight
- 234.29
Names & synonyms
343594-44-5Ethyl 3-amino-4-(1-pyrrolidinyl)benzoateethyl 3-amino-4-(pyrrolidin-1-yl)benzoateethyl 3-amino-4-pyrrolidin-1-ylbenzoateSCHEMBL14804765AKOS010565338ethyl 3-amino-4-pyrrolidin-1-yl-benzoateethyl3-amino-4-(pyrrolidin-1-yl)benzoateCS-0298917EN300-6509725Methyl 4-amino-3-(pyrrolidin-1-yl)benzoateBenzoic acid, 3-amino-4-(1-pyrrolidinyl)-, ethyl ester
Database identifiers
- CAS
343594-44-5- PubChem CID
- 12493644
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 412.3 · 412.3±35.0 °C(Predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- pka
- 5.19 · 5.19±0.40(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…