919797-19-6

25B-NBOMe (NBOMe-2C-B, BOM 2-CB, Cimbi-36) is a derivative of the phenethylamine hallucinogen 2C-B, discovered in 2004 by Ralf Heim at the Free University of Berlin and subsequently investigated by a team at Purdue University led by David Nichols. With the CAS registry number of 919797-19-6, 25I-NBOMe is a highly potent agonist for one of human receptors. Name of receptor is 5-HT2A. The molecular mass of this research chem is 427.277 g/mol. Chemical companies say that 25I-NBOMe is a member of the same effects 2C group. This product is only for research, not for human consumption.

Properties of 25B-NBOMe: (1)ACD/LogP: 4.304; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 1.30; (6)ACD/BCF (pH 7.4): 33.49; (7)ACD/KOC (pH 5.5): 6.17; (8)ACD/KOC (pH 7.4): 159.32; (9)#H bond acceptors: 4 ; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.586; (13)Molar Refractivity:101.46 cm3; (14)Molar Volume: 302.355 cm³; (15)Polarizability: 40.222 10-24cm³; (16)Surface Tension: 41.9259986877441; (17)dyne/cm Density: 1.413 g/cm³; (18)Flash Point: 244.358 °C ; (19)Enthalpy of Vaporization: 74.493 kJ/mol; (20)Boiling Point: 480.434 °C at 760 mmHg ; (21)Vapour Pressure: 0 mmHg at 25°C.

Preparation of 25I-NBOMe: It is usually synthesised from 2C-I and 2-methoxybenzaldehyde, in a reductive alkylation. It can be done stepwise by first making the imine and then reducing the formed imine with sodium borohydride, or by direct reaction with sodium triacetoxyborohydride.

You can still convert the following datas into molecular structure:
(1)InChI=1S/C18H22INO3/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2/h4-7,10-11,20H,8-9,12H2,1-3H3;
(2)InChIKey=ZFUOLNAKPBFDIJ-UHFFFAOYSA-N;
(3)Smiles=COc1ccccc1CNCCc2cc(c(cc2OC)I)OC;