Di-o-tolylguanidine

Reported in EPA TSCA Inventory.

The IUPAC name of Di-o-tolylguanidine is 1,2-bis(2-methylphenyl)guanidine . With the CAS registry number 97-39-2, it is also named as Vulkacite DOTG ; Eveite DOTG ; Vulkacit dotg/C ; Nocceler DT ; Sanceler DT ; DOTG accelerator ; 1,3-Di-o-tolylguanidine ; Soxinol DT ; Akrochem DOTG ; Guanidine, N,N'-bis(2-methylphenyl)- ; N,N'-Di-o-tolylguanidine . 

The product's categories are industrial/fine chemicals and sigma receptor. It is white powder which is soluble in chloroform , acetone , ethanol , slightly soluble in benzene , gasoline and insoluble in water. Di-o-tolylguanidine displays high and roughly equal affinity for both σ 1 and σ 2 receptors. It also has neuroprotective and antidepressant effects, and potentiates the effects of NMDA antagonists. In addition, it can be used for natural rubber, diene synthetic rubber. When heated to decomposition Di-o-tolylguanidine emits toxic fumes of NO_x. This product is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.77 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.83 ; (4)ACD/LogD (pH 7.4): 2.85 ; (5)ACD/BCF (pH 5.5): 5.01 ; (6)ACD/BCF (pH 7.4): 52.42 ; (7)ACD/KOC (pH 5.5): 31.04 ; (8)ACD/KOC (pH 7.4): 325.07 ; (9)#H bond acceptors: 3 ; (10)#H bond donors: 3 ; (11)#Freely Rotating Bonds: 2 ; (12)Index of Refraction: 1.584 ; (13)Molar Refractivity: 74.22 cm³ ; (14)Molar Volume: 221.5 cm³ ; (15)Polarizability: 29.42×10^-24 cm³ ; (16)Surface Tension: 39.5 dyne/cm ; (17)Enthalpy of Vaporization: 64.63 kJ/mol ; (18)Vapour Pressure: 1.75E-06 mmHg at 25°C ; (19)Rotatable Bond Count: 3 ; (20)Tautomer Count: 2 ; (21)Exact Mass: 239.142248 ; (22)MonoIsotopic Mass: 239.142248 ; (23)Topological Polar Surface Area: 50.4 ; (24)Heavy Atom Count: 18.

People can use the following data to convert to the molecule structure. SMILES: N(=C(/Nc1ccccc1C)N)\c2ccccc2C; InChI: InChI=1/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18). Di-o-tolylguanidine has many suppliers, such as Dalian Richfortune Chemicals Co., Ltd., Hebi Shancheng Kangbo Lianhe Rubber Chemical Plant and Linkwell Rubber Chemicals Co., Ltd..

The following is the toxicity data which has been tested.