Basic information
- CAS
3043-04-7- Standard SMILES
CCOC(C(=O)OC1CC[NH+](CC)C1)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
KKQWBZPXBQQVBN-UHFFFAOYSA-N- Molecular formula
- C22H28ClNO3
- Average molar mass
- 389.9 g/mol
- Monoisotopic mass
- 389.1757714
Names & identifiers
- Preferred name
- 1-Ethylpyrrolidin-3-yl ethoxy(diphenyl)acetate--hydrogen chloride (1/1)
- IUPAC
- (1-ethylpyrrolidin-1-ium-3-yl) 2-ethoxy-2,2-diphenylacetate chloride
Names & synonyms
3043-04-7DTXSID509527621-Ethylpyrrolidin-3-yl ethoxy(diphenyl)acetate--hydrogen chloride (1/1)RefChem:1055470DTXCID101380836Acetic acid, 2,2-diphenyl-2-ethoxy-, (1-ethyl-3-pyrrolidinyl) ester, hydrochloride2,2-Diphenyl-2-ethoxyacetic acid (1-ethyl-3-pyrrolidinyl) ester hydrochloride
Database identifiers
- CAS
3043-04-7- PubChem CID
- 18239
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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