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91164-58-8

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Basic Information
CAS No.: 91164-58-8
Name: 4-MeO-PCP
Molecular Structure:
Molecular Structure of 91164-58-8 (4-MeO-PCP)
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