Pyrrolidine, 1,5-dimethyl-3,3-diphenyl-2-ethylidene-
Basic information
- CAS
30223-73-5- Standard SMILES
CC=C1N(C)C(C)CC1(c1ccccc1)c1ccccc1- InChIKey
AJRJPORIQGYFMT-UHFFFAOYSA-N- Molecular formula
- C20H23N
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.18304974
Overview
2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine is a diarylmethane.
Names & identifiers
- Preferred name
- Pyrrolidine, 1,5-dimethyl-3,3-diphenyl-2-ethylidene-
- IUPAC
- 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine
- English name
- 2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine perchlorate salt
- Molecular formula
- C20H23N
- Molecular weight
- 277.4
Names & synonyms
CHEMBL196431Pyrrolidine, 1,5-dimethyl-3,3-diphenyl-2-ethylidene-SCHEMBL2120097CHEBI:80645AJRJPORIQGYFMT-UHFFFAOYSA-NBDBM504099612-ethylidene-1,5-dimethyl-3,3-*diphenylpyrrolidin1,5-dimethyl-3,3-diphenyl-2 -ethylidene pyrrolidine2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine (EDDP)C16659EDDP trifluoroacetate salt2-Ethylidene-3,3-diphenyl-1,5-diMethylpyrrolidine
Show more names
2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine2-ethylidene-dimethyl-3,3-diphenylpyrrolidine perchlorate2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine perchlorate salt2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine (cis/trans mixture)2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine (cis/trans mixture) (>90%)
Database identifiers
- CAS
30223-73-5
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 353
Experimental & physicochemical properties
DrugsPharmaceuticals -> Illicit drugs
Physicochemical properties
- Boiling point
- 130 °C · 130 °C(Press: 0.1 Torr)
- Density
- 1.051 · 1.051±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
- pka
- 7.71 · 7.71±0.60(Predicted)
- form
- Oil to Semi-Solid
- color
- Colourless to Dark Orange
- Stability
- Hygroscopic, Light Sensitive
- FDA UNII
- 3 LC48U94I · Z3LC48U94I
- Safety Statements
- 22 · 22-24/25
- RIDADR
- 1479 · 1479
- WGK Germany
- 3 · 3
- HazardClass
- 5.1 · 5.1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- ridadr
- 1479
- safety_code
- 22-24/25
- hazard_class
- 5.1
- packing_group
- III
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsMembrane
Applications
UsesA metabolite of Methadone (M225865).
Additional notes
DefinitionChEBI: 2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine is a diarylmethane.
Suppliers
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Compound notes
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