Ethyl 3-[bis(2-hydroxyethyl)amino]benzoate
Basic information
- CAS
23730-39-4- Standard SMILES
CCOC(=O)c1cccc(N(CCO)CCO)c1- InChIKey
CNNDPUZSTQEOKN-UHFFFAOYSA-N- Molecular formula
- C13H19NO4
- Average molar mass
- 253.29 g/mol
- Monoisotopic mass
- 253.13140809
Names & identifiers
- Preferred name
- Ethyl 3-[bis(2-hydroxyethyl)amino]benzoate
- IUPAC
- ethyl 3-[bis(2-hydroxyethyl)amino]benzoate
Names & synonyms
23730-39-4ethyl 3-[bis(2-hydroxyethyl)amino]benzoateNSC103359NCIOpen2_007179Benzoic acid,3-[bis(2-hydroxyethyl)amino]-, ethyl esterDTXSID00295616NSC-103359DS-010427
Database identifiers
- CAS
23730-39-4- PubChem CID
- 266155
- DTXSID
DTXSID00295616
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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