Bis(2-acetoxyethyl)phenylammonium acetate
Basic information
- CAS
84030-49-9- Standard SMILES
CC(=O)OCC[NH+](CCOC(C)=O)c1ccccc1.CC(=O)[O-]- InChIKey
QXTMNTHBVVVMBG-UHFFFAOYSA-N- Molecular formula
- C16H23NO6
- Average molar mass
- 325.36 g/mol
- Monoisotopic mass
- 325.15253745
Names & identifiers
- Preferred name
- Bis(2-acetoxyethyl)phenylammonium acetate
- IUPAC
- bis(2-acetyloxyethyl)-phenylazanium acetate
Names & synonyms
Bis(2-acetoxyethyl)phenylammonium acetate84030-49-9AKOS030255634NS00090740
Database identifiers
- CAS
84030-49-9- PubChem CID
- 21149596
- EC Number
- 281-823-4
Properties
Computed structural properties
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 293
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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