Basic information
- CAS
67465-38-7- Standard SMILES
CN(C)CC(OC(=O)C(O)c1ccccc1)c1ccccc1- InChIKey
LNNYTUMZCUHLOO-UHFFFAOYSA-N- Molecular formula
- C18H21NO3
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.15214353
Names & identifiers
- Preferred name
- Mandelic acid, (2-(dimethylamino)-1-phenyl)ethyl ester
- IUPAC
- [2-(dimethylamino)-1-phenylethyl] 2-hydroxy-2-phenylacetate
- English name
- α-Hydroxybenzeneacetic acid 2-(dimethylamino)-1-phenylethyl ester
- Molecular formula
- C18H21NO3
- Molecular weight
- 299.36
Names & synonyms
67465-38-7MANDELIC ACID, (2-(DIMETHYLAMINO)-1-PHENYL)ETHYL ESTERRefChem:1088790beta-Mandeloyloxy-beta-phenylethyl dimethylamineDTXSID909867682-(dimethylamino)-1-phenylethyl hydroxy(phenyl)acetateα-Hydroxybenzeneacetic acid 2-(dimethylamino)-1-phenylethyl esterBenzeneacetic acid, α-hydroxy-, 2-(dimethylamino)-1-phenylethyl ester
Database identifiers
- CAS
67465-38-7- PubChem CID
- 49875
- DTXSID
DTXSID90986768- Nikkaji
- J147.698J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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