Basic information
- CAS
6296-29-3- Standard SMILES
COC(=O)CCc1ccc(CN(CCO)CCO)cc1- InChIKey
VAJCWNAXELFRFF-UHFFFAOYSA-N- Molecular formula
- C15H23NO4
- Average molar mass
- 281.35 g/mol
- Monoisotopic mass
- 281.16270821
Names & identifiers
- Preferred name
- Methyl 3-[4-[(bis(2-hydroxyethyl)amino)methyl]phenyl]propanoate
- IUPAC
- methyl 3-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]propanoate
Names & synonyms
METHYL 3-[4-[(BIS(2-HYDROXYETHYL)AMINO)METHYL]PHENYL]PROPANOATE6296-29-3Methyl 3-(4-{[bis(2-hydroxyethyl)amino]methyl}phenyl)propanoateDTXSID80328739
Database identifiers
- CAS
6296-29-3- PubChem CID
- 413579
- DTXSID
DTXSID80328739
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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