(1-Ethylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen chloride (1/1)
Basic information
- CAS
3411-42-5- Standard SMILES
CCOC(C(=O)OCC1CCC[NH+]1CC)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
UNBNMAIWASGESC-UHFFFAOYSA-N- Molecular formula
- C23H30ClNO3
- Average molar mass
- 403.9 g/mol
- Monoisotopic mass
- 403.1914215
Names & identifiers
- Preferred name
- (1-Ethylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen chloride (1/1)
- IUPAC
- (1-ethylpyrrolidin-1-ium-2-yl)methyl 2-ethoxy-2,2-diphenylacetate chloride
Names & synonyms
3411-42-5DTXSID70955654(1-Ethylpyrrolidin-2-yl)methyl ethoxy(diphenyl)acetate--hydrogen chloride (1/1)RefChem:1049253DTXCID101383642Acetic acid, 2,2-diphenyl-2-ethoxy-, (1-ethyl-2-pyrrolidinyl)methyl ester, hydrochloride2,2-Diphenyl-2-ethoxyacetic acid (1-ethyl-2-pyrrolidinyl)methyl ester hydrochloride
Database identifiers
- CAS
3411-42-5- PubChem CID
- 18872
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 437
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Related reactions
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Compound notes
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