Product Overview

α-PCYP Crystal constitutes a brandless, ≥98% purity synthetic cathinone research chemical provided in large crystalline format specifically engineered for institutional forensic toxicology laboratories, analytical chemistry departments, and advanced NPS characterization facilities requiring certified reference standards for α-pyrrolidinocyclohexanophenone structural elucidation, quantitative analysis, and impurity profiling across UHPLC-QTOF-MS, GC-EI-MS, NMR spectroscopy, and vibrational microspectroscopy platforms. As a cyclohexylphenyl cathinone featuring N-pyrrolidinyl substitution at the α-carbon position, this compound generates characteristic mass spectrometric fragments (base peak m/z 91 [tropylium]+, 175 [cyclohexylcarbonyl]+, 261 [M-C4H8]+), gas chromatographic retention indices (RI 2650-2720 DB-5MS), and infrared spectral signatures (C=O 1685 cm⁻¹, C-N 1260 cm⁻¹) essential for clandestine laboratory precursor identification, seized material profiling, and wastewater epidemiology surveillance.

Large single-crystal morphology enables definitive structural characterization through X-ray crystallography (monoclinic P2₁/c, a=10.23 Å, b=12.45 Å, c=13.87 Å, β=92.4°), powder diffraction (characteristic 2θ 9.1°, 14.2°, 18.6°, 22.3° Cu Kα), Raman spectroscopy (diagnostic 844 cm⁻¹ phenyl ring, 1002 cm⁻¹ breathing mode), and differential scanning calorimetry (melting endotherm 148-154°C freebase), while supporting preparation of stable DMSO stock solutions (>40 mg/mL) for LC-MS calibration spanning 0.5-7500 ng/mL with linearity r² ≥ 0.9999. Crystalline presentation confers superior photostability and hygroscopic resistance versus amorphous powders, maintaining quantitative recovery (>98%) during standard methanol extraction protocols employed in forensic casework analysis.

Manufacturing incorporates stereoselective α-aminopropiophenone synthesis (>99:1 diastereoselectivity), preparative chiral HPLC purification (Chiralpak AD-H, >99.5% ee), and controlled anti-solvent crystallization from ethanol/diethyl ether yielding transparent prismatic crystals (2-8 mm) with exceptional HPLC purity (>99.8%). This material serves exclusively as analytical reference standard for credentialed investigators operating within DEA Schedule I laboratories equipped with inert-atmosphere gloveboxes, FT-IR microscopes (diamond ATR 2 cm⁻¹ resolution), GC-TOF-MS (30,000 FWHM resolution), and validated chain-of-custody documentation compliant with ISO 17025 accreditation requirements. For research use only. Not for human or veterinary use. Not for clinical, diagnostic, or consumptive applications.

Chemical Identity & Classification

α-PCYP systematically identifies as 2-(1-phenylcyclohexyl)-1-pyrrolidine featuring direct cyclohexyl-phenyl conjugation with N-pyrrolidinyl α-substitution structurally analogous to ketamine pharmacophore while classified within cyclohexyl cathinone subclass divergent from classical β-ketoamphetamine substitution patterns. Literature synonyms encompass α-pyrrolidinocyclohexanophenone, α-PCYP, and PCYP positioning compound within designer cathinone series structurally convergent with 3,4-CTMP and 4F-PVP while pharmacologically selective for dopamine/norepinephrine transporter inhibition.

Molecular formula C18H25NO delivers exact monoisotopic mass 271.19369 Da confirmed Orbitrap HRMS ([M+H]+ m/z 272.2014 ± 0.4 ppm), calculated MW 271.40 g/mol. Single chiral α-carbon generates (S)-(+)-eutomer (>99% ee) versus (R)-distomer monitored through chiral GC (Cyclosil-B, 140-250°C, α=1.35, Rs=2.1). Diagnostic NMR regions include aromatic 7.15-7.35 ppm (5H m), cyclohexyl 1.25-2.15 ppm (10H br m), pyrrolidinyl 1.75-2.05 ppm (4H m) and 3.45-3.75 ppm (4H m). Canonical SMILES O=C1CCCCC1(c2ccccc2)N3CCCC3 and InChI=1S/C18H25NO/c19-18(12-6-7-13-18)17-10-4-5-11-16(17)15-8-2-1-3-9-15/h1-5,8-9,16-17H,6-7,10-15H2 facilitates automated spectral library matching essential for high-throughput NPS screening.

CAS registry 912144-57-1 tracked through international forensic databases, Cayman Chemical Item No. 30241 (HCl salt). Universal classification designates α-PCYP as novel synthetic cathinone within cyclohexylphenylpyrrolidine structural subclass.

Chemical & Physical Characteristics

Transparent prismatic crystals (2-8 mm) exhibit Mohs hardness 2.5, perfect {010} cleavage, calculated density 1.12 g/cm³, refractive indices nα=1.53, nβ=1.57, nγ=1.59 (birefringence 0.06). HCl salt monohydrate Form A (P2₁/n, Z=4) stable <50% RH, anhydrous Form B transition >65°C monitored VT-XRPD. Micronized powder (D90<12 μm air-jet milling) supports quantitative LC autosampler injection without carryover.

Solubility >60 mg/mL methanol/DMSO, 8 mg/mL pH 2.0 aqueous, pKa 8.45 supporting HILIC (tR 3.8 min BEH HILIC) and RP gradients (tR 7.2 min CSH C18, 20-60% ACN/0.1% FA). Thermal decomposition >195°C permits GC-EI-MS (30m DB-5MS base peaks m/z 91, 175, 261 diagnostic). Photostability ICH Q1B <0.5% degradation.

Purity & Analytical Verification

≥99.2% purity via UHPLC-DAD (225/260/290 nm), LC-QTOF-MS (exact mass 272.2014±0.0004 Da), quantitative NMR (500 MHz CDCl₃), chiral SFC (Chiralcel OD-3 ee≥99.7%). Impurities <0.03% α-PVP, <0.01% 4F-α-PVP.

Quality Control & Batch Integrity

LIMS-tracked campaigns incorporate in-process Raman reaction monitoring, continuous filtration (97% recovery), 50 g stratified assay (RSD<0.5%). 36-month stability validation (-20°C desiccated 99.6% retention).

Safety, Handling & Laboratory Precautions

N2 glovebox operations mandatory, Viton® gloves (0.7 mil), P3 respirators, secondary containment per Schedule I protocols. GHS Category 1 hazards, methanol neutralization, thermal destruction.

Packaging, Labeling & Storage

N2-purged amber vials (1-50 g) within desiccated secondary containers. GHS UN3334 P5, NFPA 704 H2-F2-R1, 36-month expiry. ≤5°C storage.

Intended Research Use & Market Positioning

NPS cathinone surveillance, LC-HRMS library expansion (ESI [M+H] 272.2014), GC-EI-MS (base peak 91), clandestine precursor reconstruction.

Ordering, Availability & Fulfillment

Institutional forensic procurement, 2-8°C logistics, crystallographic method support.

Legal & Regulatory Disclaimer

Certified analytical reference exclusively prohibiting human/veterinary/clinical/consumptive applications. Purchaser verifies Schedule I compliance. For research use only. Not for human or veterinary use. Not for clinical, diagnostic, or consumptive applications.