N,N'-dimethyl-N-[2-(methylamino)ethyl]ethylenediamine (105-84-0)

The CAS register number of 1,4,7-Trimethyldiethylenetriamine is 105-84-0. It also can be called as 1,2-Ethanediamine, N,N'-dimethyl-N-(2-(methylamino)ethyl)- and the systematic name about this chemical is N,N'-dimethyl-N'-[2-(methylamino)ethyl]ethane-1,2-diamine. Its molecular formula is C₇H₁₉N₃ and molecular weight is 145.24586.

Physical properties about 1,4,7-Trimethyldiethylenetriamine are: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.57; (4)ACD/LogD (pH 7.4): -4.5; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.72Ų; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 45.39 cm³; (15)Molar Volume: 168.9 cm³; (16)Surface Tension: 29 dyne/cm; (17)Density: 0.859 g/cm³; (18)Flash Point: 60.6 °C; (19)Enthalpy of Vaporization: 42.65 kJ/mol; (20)Boiling Point: 190.3 °C at 760 mmHg; (21)Vapour Pressure: 0.544 mmHg at 25°C.

Uses of 1,4,7-Trimethyldiethylenetriamine: It reacts with N-(4-chloromethyl-benzyl)-N'-{2-[(4-chloromethyl-benzyl)-methyl-amino]-ethyl}-N,N'-dimethyl-ethane-1,2-diamine; trihydrochloride to get 3,6,9,16,19,22-hexamethyl-3,6,9,16,19,22-hexaaza-tricyclo[22.2.2.211,14]triaconta-1(27),11(30),12,14(29),24(28),25-hexaene. This reaction needs solvent acetonitrile. The reaction time is 14 hours. The yield is 35 %.



People can use the following data to convert to the molecule structure.
1.SMILES: N(CCN(CCNC)C)C
2.InChI: InChI=1/C7H19N3/c1-8-4-6-10(3)7-5-9-2/h8-9H,4-7H2,1-3H3
3.InChIKey: ODZZIKZQNODXFS-UHFFFAOYAT
4.Std. InChI: InChI=1S/C7H19N3/c1-8-4-6-10(3)7-5-9-2/h8-9H,4-7H2,1-3H3