Benzilic acid, p-methyl-, 2-(diethylamino)ethyl ester
Basic information
- CAS
78200-30-3- Standard SMILES
CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1ccc(C)cc1- InChIKey
BLAYYINNKMRCSQ-UHFFFAOYSA-N- Molecular formula
- C21H27NO3
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.19909372
Names & identifiers
- Preferred name
- Benzilic acid, p-methyl-, 2-(diethylamino)ethyl ester
- IUPAC
- 2-(diethylamino)ethyl 2-hydroxy-2-(4-methylphenyl)-2-phenylacetate
Names & synonyms
Benzilic acid, p-methyl-, 2-(diethylamino)ethyl ester78200-30-3RefChem:10787752-(Diethylamino)ethyl 2-phenyl-2-p-tolylglycolateBRN 34248332-Phenyl-2-p-tolylglycolic acid 2-(diethylamino)ethyl ester4-10-00-01302 (Beilstein Handbook Reference)DTXSID609994412-(Diethylamino)ethyl hydroxy(4-methylphenyl)phenylacetate2-(Diethylamino)ethyl hydroxy(4-methylphenyl)(phenyl)acetate
Database identifiers
- CAS
78200-30-3- PubChem CID
- 420149
- DTXSID
DTXSID60999441- Nikkaji
- J62.251F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 396
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Related reactions
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Compound notes
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