The Bis-2,6-N,N-(2-hydroxyethyl)diaminotoluene, with the CAS registry number 149330-25-6, has the systematic name of 2,2'-[(2-methylbenzene-1,3-diyl)diimino]diethanol. It is a kind of off-white powder, and belongs to the following product categories: Intermediates of Dyes and Pigments; Pharmaceutical Intermediates; Amines. And the molecular formula of the chemical is C11H18N2O2.
The characteristics of Bis-2,6-N,N-(2-hydroxyethyl)diaminotoluene are as followings: (1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33; (8)ACD/KOC (pH 7.4): 41; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 64.52 Å2; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 62.632 cm3; (15)Molar Volume: 172.646 cm3; (16)Polarizability: 24.829×10-24cm3; (17)Surface Tension: 57.651 dyne/cm; (18)Density: 1.218 g/cm3; (19)Flash Point: 206.232 °C; (20)Enthalpy of Vaporization: 76.355 kJ/mol; (21)Boiling Point: 463.454 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCCNc1cccc(NCCO)c1C
(2InChI: InChI=1/C11H18N2O2/c1-9-10(12-5-7-14)3-2-4-11(9)13-6-8-15/h2-4,12-15H,5-8H2,1H3
(3)InChIKey: FGYCMSFOZIRDLN-UHFFFAOYAA
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