2,2',2''-Nitrilotriethyl tribenzoate
Basic information
- CAS
47750-79-8- Standard SMILES
O=C(OCCN(CCOC(=O)c1ccccc1)CCOC(=O)c1ccccc1)c1ccccc1- InChIKey
OAXKCKGNLUUHEF-UHFFFAOYSA-N- Molecular formula
- C27H27NO6
- Average molar mass
- 461.5 g/mol
- Monoisotopic mass
- 461.18383758
Names & identifiers
- Preferred name
- 2,2',2''-Nitrilotriethyl tribenzoate
- IUPAC
- 2-[bis(2-benzoyloxyethyl)amino]ethyl benzoate
- English name
- 2,2',2''-nitrilotriethyl tribenzoate
- Molecular formula
- C27H27NO6
- Molecular weight
- 461.50638
Names & synonyms
2,2',2''-Nitrilotriethyl tribenzoateEINECS 256-334-4Ethanol, 2,2',2''-nitrilotris-, tribenzoate (ester)DTXSID20197269RefChem:80530DTXCID80119760256-334-447750-79-8SCHEMBL502025OAXKCKGNLUUHEF-UHFFFAOYSA-NNitrilotri(ethane-2,1-diyl) tribenzoateNS00022214
Database identifiers
- CAS
47750-79-8- PubChem CID
- 6452098
- DTXSID
DTXSID20197269- EC Number
- 256-334-4
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 15
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 535
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Ethanol, 2,2',2''-nitrilotris-, tribenzoate (ester)
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Related reactions
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Compound notes
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