Basic information
- CAS
69781-82-4- Standard SMILES
OC(Cc1ccccc1)OCC[NH+]1CCOCC1.[Cl-]- InChIKey
SICYNNKOPGQOPB-UHFFFAOYSA-N- Molecular formula
- C14H22ClNO3
- Average molar mass
- 287.78 g/mol
- Monoisotopic mass
- 287.1288213
Names & identifiers
- Preferred name
- Acetic acid, 2-phenyl-, (2-morpholinoethyl) ester, hydrochloride, hydrate
- IUPAC
- 1-(2-morpholin-4-ium-4-ylethoxy)-2-phenylethanol chloride
Names & synonyms
2-Phenylacetic acid (2-morpholinoethyl) ester hydrochloride hydrate69781-82-4beta-4-Morpholineethyl phenylacetate monohydrate hydrochlorideACETIC ACID, 2-PHENYL-, (2-MORPHOLINOETHYL) ESTER, HYDROCHLORIDE, HYDRATERefChem:316525
Database identifiers
- CAS
69781-82-4- PubChem CID
- 50838
Properties
Computed structural properties
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 213
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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