Ethanol, 2,2',2''-nitrilotris-, 2-methyl-2-(2-methylphenoxy)propanoate (salt)
Basic information
- CAS
105377-52-4- Standard SMILES
Cc1ccccc1OC(C)(C)C(=O)O.OCCN(CCO)CCO- InChIKey
JSEDNPRNRNTUSH-UHFFFAOYSA-N- Molecular formula
- C17H29NO6
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.19948764
Names & identifiers
- Preferred name
- Ethanol, 2,2',2''-nitrilotris-, 2-methyl-2-(2-methylphenoxy)propanoate (salt)
- IUPAC
- 2-[bis(2-hydroxyethyl)amino]ethanol;2-methyl-2-(2-methylphenoxy)propanoic acid
Names & synonyms
105377-52-4Ethanol, 2,2',2''-nitrilotris-, 2-methyl-2-(2-methylphenoxy)propanoate (salt)DTXSID90147099AKOS0032910442-Methyl-2-(2-methylphenoxy)propanoic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
Database identifiers
- CAS
105377-52-4- PubChem CID
- 184472
- DTXSID
DTXSID90147099
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
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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