2-(Dimethylamino)ethyl (ethanesulfonyl)(diphenyl)acetate--hydrogen chloride (1/1)
Basic information
- CAS
16502-63-9- Standard SMILES
CCS(=O)(=O)C(C(=O)OCC[NH+](C)C)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
DPXQVYSYOIPIBU-UHFFFAOYSA-N- Molecular formula
- C20H26ClNO4S
- Average molar mass
- 411.9 g/mol
- Monoisotopic mass
- 411.1271072
Names & identifiers
- Preferred name
- 2-(Dimethylamino)ethyl (ethanesulfonyl)(diphenyl)acetate--hydrogen chloride (1/1)
- IUPAC
- 2-(2-ethylsulfonyl-2,2-diphenylacetyl)oxyethyl-dimethylazanium chloride
Names & synonyms
16502-63-9DTXSID409370232-(Dimethylamino)ethyl (ethanesulfonyl)(diphenyl)acetate--hydrogen chloride (1/1)RefChem:1061775DTXCID101365608Diphenyl(ethylsulfonyl)acetic acid 2-(dimethylamino)ethyl ester hydrochloride2-Dimethylaminoethyl 2,2-diphenyl-2-ethylsulfonylacetate hydrochlorideAcetic acid, diphenyl(ethylsulfonyl)-, 2-(dimethylamino)ethyl ester, hydrochloride
Database identifiers
- CAS
16502-63-9- PubChem CID
- 27894
Properties
Computed structural properties
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 523
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Related reactions
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Compound notes
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