Basic information
- CAS
22912-13-6- Standard SMILES
c1csc(C2(N3CCCC3)CCCCC2)c1- InChIKey
XLQOCWQLDNWQDM-UHFFFAOYSA-N- Molecular formula
- C14H21NS
- Average molar mass
- 235.39 g/mol
- Monoisotopic mass
- 235.13947085
Overview
1-[1-(2-thienyl)cyclohexyl]pyrrolidine is a DEA Schedule I controlled substance. Substances in the DEA Schedule I have no currently accepted medical use in the United States, a lack of accepted safety for use under medical supervision, and a high potential for abuse. It is a Hallucinogenic substances substance.
Names & identifiers
- Preferred name
- 1-(1-(2-Thienyl)cyclohexyl)pyrrolidine
- IUPAC
- 1-(1-thiophen-2-ylcyclohexyl)pyrrolidine
- English name
- 1-(1-(2-thienyl)cyclohexyl)pyrrolidine
- Molecular formula
- C14H21NS
- Molecular weight
- 235.39
Names & synonyms
1-(1-(2-THIENYL)CYCLOHEXYL)PYRROLIDINE22912-13-6QD59MHJ0DGDTXSID90177457RefChem:73890DTXCID0099948432-830-8TCPy1-(1-thiophen-2-ylcyclohexyl)pyrrolidineUNII-QD59MHJ0DG1-[1-(THIOPHEN-2-YL)CYCLOHEXYL]PYRROLIDINESCHEMBL1742361
Show more names
Pyrrolidine, 1-[1-(2-thienyl)cyclohexyl]-
DEA No. 7473NCGC00160466-011-(1-(2-thienyl)-cyclohexyl)pyrrolidinePyrrolidine, 1-(1-(2-thienyl)cyclohexyl)NS00113759Pyrrolidine, 1-(1-(2-thienyl)cyclohexyl)-Q27287199
Database identifiers
- CAS
22912-13-6- PubChem CID
- 62764
- DTXSID
DTXSID90177457- UNII
- QD59MHJ0DG
- EC Number
- 432-830-8
- Nikkaji
- J228.128G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 31.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
DrugsDEA Schedule I Controlled Substance -> Hallucinogenic substances
Physicochemical properties
- Melting point
- 37 · 37-39 °C(Solv: hexane (110-54-3); ethyl acetate (141-78-6))
- Boiling point
- 326.1 · 326.1±17.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 9.37 · 9.37±0.20(Predicted)
- FDA UNII
- 59 MHJ0DG · QD59MHJ0DG
- DEA Controlled Substances
- 7473 CSA · CSCN: 7473CSA SCH: Schedule INARC: No
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
DEA schedule I controlled substance
REACH registered substance: TCPY (EC: 432-830-8)
Safety data
- DEA Controlled Substances
- CSCN: 7473CSA SCH: Schedule INARC: No
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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