Ethanol, 2,2',2''-nitrilotris-, 2-(4-chlorophenoxy)-2-methylpropanoate (salt)
Basic information
- CAS
105377-53-5- Standard SMILES
CC(C)(Oc1ccc(Cl)cc1)C(=O)O.OCCN(CCO)CCO- InChIKey
JKKJVHVHLHODJU-UHFFFAOYSA-N- Molecular formula
- C16H26ClNO6
- Average molar mass
- 363.8 g/mol
- Monoisotopic mass
- 363.1448652
Names & identifiers
- Preferred name
- Ethanol, 2,2',2''-nitrilotris-, 2-(4-chlorophenoxy)-2-methylpropanoate (salt)
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]ethanol;2-(4-chlorophenoxy)-2-methylpropanoic acid
Names & synonyms
105377-53-5Ethanol, 2,2',2''-nitrilotris-, 2-(4-chlorophenoxy)-2-methylpropanoate (salt)DTXSID401471002-(4-Chlorophenoxy)-2-methylpropanoic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
Database identifiers
- CAS
105377-53-5- PubChem CID
- 184473
- DTXSID
DTXSID40147100
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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