1-Butylpyrrolidin-3-yl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1)
Basic information
- CAS
101710-77-4- Standard SMILES
CCCC[NH+]1CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Cl-]- InChIKey
NJJMKEDPPMDESA-UHFFFAOYSA-N- Molecular formula
- C21H32ClNO3
- Average molar mass
- 381.9 g/mol
- Monoisotopic mass
- 381.2070716
Names & identifiers
- Preferred name
- 1-Butylpyrrolidin-3-yl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1)
- IUPAC
- (1-butylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride
Names & synonyms
101710-77-4DTXSID409065371-Butylpyrrolidin-3-yl cyclopentyl(hydroxy)phenylacetate--hydrogen chloride (1/1)RefChem:1055190DTXCID201335634AHR 371alpha-Cyclopentylmandelic acid 1-butyl-3-pyrrolidinyl ester hydrochlorideMANDELIC ACID, alpha-CYCLOPENTYL-, 1-BUTYL-3-PYRROLIDINYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
101710-77-4- PubChem CID
- 58774
Properties
Computed structural properties
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 429
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Related reactions
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Compound notes
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