Basic information
- CAS
67465-37-6- Standard SMILES
CC[NH+](CC)CC(C)(C)COC(=O)C(OC(C)=O)c1ccccc1.[Cl-]- InChIKey
JJPRJLIMZNKMLU-UHFFFAOYSA-N- Molecular formula
- C19H30ClNO4
- Average molar mass
- 371.9 g/mol
- Monoisotopic mass
- 371.1863361
Names & identifiers
- Preferred name
- Mandelic acid, 3-(diethylamino)-2,2-dimethylpropyl ester, acetate, hydrochloride
- IUPAC
- [3-(2-acetyloxy-2-phenylacetyl)oxy-2,2-dimethylpropyl]-diethylazanium chloride
Names & synonyms
67465-37-6MANDELIC ACID, 3-(DIETHYLAMINO)-2,2-DIMETHYLPROPYL ESTER, ACETATE, HYDROCHLORIDERefChem:1088794Acetylmandelsaeureester des 3-diaethylamino-2,2-dimethyl-1-propanol hydrochlorid [German]Acetylmandelsaeureester des 3-diaethylamino-2,2-dimethyl-1-propanol hydrochlorid
Database identifiers
- CAS
67465-37-6- PubChem CID
- 49873
Properties
Computed structural properties
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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