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105-84-0

Basic Information
CAS No.: 105-84-0
Name: 1,2-Ethanediamine,N1,N2-dimethyl-N1-[2-(methylamino)ethyl]-
Article Data: 6
Molecular Structure:
Molecular Structure of 105-84-0 (1,2-Ethanediamine,N1,N2-dimethyl-N1-[2-(methylamino)ethyl]-)
Formula: C7H19N3
Molecular Weight: 145.248
Synonyms: 1,2-Ethanediamine,N,N'-dimethyl-N-[2-(methylamino)ethyl]- (9CI);Diethylenetriamine,1,4,7-trimethyl- (6CI,7CI,8CI);1,4,7-Trimethyl-1,4,7-triazaheptane;1,4,7-Trimethyldiethylenetriamine;N,N',N''-Trimethyldiethylenetriamine;N,N'-Dimethyl-N-[2-(methylamino)ethyl]-1,2-ethanediamine;N,N'-Dimethyl-N-[2-(methylamino)ethyl]ethylenediamine;NSC 166321;
EINECS: 203-337-3
Density: 0.859 g/cm3
Boiling Point: 190.3 °C at 760 mmHg
Flash Point: 60.6 °C
Hazard Symbols: Xi
Risk Codes: R36/37/38
PSA: 27.30000
LogP: 0.13880
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Specification

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: 9.72Å2; (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