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| CAS No.: | 91164-58-8 |
|---|---|
| Name: | 4-MeO-PCP |
| Molecular Structure: | |
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| Formula: | C18H27NO |
| Molecular Weight: | 309.879 |
| Synonyms: | 4-Methoxyphencyclidine; |
| Density: | 1.035 g/cm3 |
| Boiling Point: | 381.307 °C at 760 mmHg |
| Flash Point: | 112.362 °C |
| Hazard Symbols: | F,T |
| Risk Codes: | 11-23/24/25-39/23/24/25 |
| Safety: | 16-36/37-45 |
| PSA: | 12.47000 |
| LogP: | 5.08040 |
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Specification
The 4-MeO-PCP, with the CAS registry number 91164-58-8, is also known as 4-Methoxyphencyclidine, 1-[1-(3-Methoxyphenyl)cyclohexyl]piperidine. This chemical's molecular formula is C18H27NO and molecular weight is 273.21. What's more, its IUPAC name is the same with its product name. It is a dissociative anesthetic drug with hallucinogenic and sedative effects that has been sold as a research chemical.
Physical properties about 4-MeO-PCP are: (1)ACD/LogP: 3.91; (2)ACD/LogD (pH 5.5): 1.52; (3)ACD/LogD (pH 7.4): 3.22; (4)ACD/BCF (pH 5.5): 2.22; (5)ACD/BCF (pH 7.4): 113.32; (6)ACD/KOC (pH 5.5): 12.84; (7)ACD/KOC (pH 7.4): 655.80; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.544; (11)Molar Refractivity: 83.367 cm3; (12)Molar Volume: 264.239 cm3; (13)Polarizability: 33.049 10-24cm3; (14)Surface Tension: 40.5139999389648 dyne/cm; (15)Density: 1.035 g/cm3; (16)Flash Point: 112.362 °C; (17)Enthalpy of Vaporization: 62.957 kJ/mol; (18)Boiling Point: 381.307 °C at 760 mmHg;
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1cccc(c1)C3(N2CCCCC2)CCCCC3)C
(2) InChI: InChI=1S/C18H27NO/c1-20-17-10-8-9-16(15-17)18(11-4-2-5-12-18)19-13-6-3-7-14-19/h8-10,15H,2-7,11-14H2,1H3
(3) InChIKey: BQQSZHHKGPOXLN-UHFFFAOYSA-N