Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt)
Basic information
- CAS
105377-49-9- Standard SMILES
O=C(O)COc1ccccc1Cl.OCCN(CCO)CCO- InChIKey
NQZZXMKBGJMCPB-UHFFFAOYSA-N- Molecular formula
- C14H22ClNO6
- Average molar mass
- 335.78 g/mol
- Monoisotopic mass
- 335.1135651
Names & identifiers
- Preferred name
- Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt)
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]ethanol;2-(2-chlorophenoxy)acetic acid
Names & synonyms
105377-49-9Ethanol, 2,2',2''-nitrilotris-, (2-chlorophenoxy)acetate (salt)DTXSID30147098AKOS003290448(2-Chlorophenoxy)acetic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
Database identifiers
- CAS
105377-49-9- PubChem CID
- 184471
- DTXSID
DTXSID30147098
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 216
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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