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1733-93-3

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Basic Information
CAS No.: 1733-93-3
Name: 2,2'-[2-(dodecyloxy)ethyl]imino]bisethanol
Molecular Structure:
Molecular Structure of 1733-93-3 (2,2'-[2-(dodecyloxy)ethyl]imino]bisethanol)
Formula: C18H39NO3
Molecular Weight: 317.513
Synonyms: Ethanol,2,2'-[[2-(dodecyloxy)ethyl]imino]di- (6CI,7CI);Triethanolamine monododecylether;
EINECS: 217-073-1
Density: 0.949g/cm3
Boiling Point: 440 °C at 760 mmHg
Flash Point: 219.9 °C
PSA: 52.93000
LogP: 3.21050
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Specification

The Ethanol,2,2'-[2-(dodecyloxy)ethyl]imino]bis- (9CI), with CAS registry number 1733-93-3, has the systematic name of 2,2'-{[2-(dodecyloxy)ethyl]imino}diethanol. Besides this, it is also called Tea-lauryl ether. And the chemical formula of this chemical is C18H39NO3. What's more, its EINECS is 217-073-1.

Physical properties of Ethanol,2,2'-[2-(dodecyloxy)ethyl]imino]bis- (9CI): (1)ACD/LogP: 4.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 3.92; (5)ACD/BCF (pH 5.5): 10.34; (6)ACD/BCF (pH 7.4): 449.23; (7)ACD/KOC (pH 5.5): 49.23; (8)ACD/KOC (pH 7.4): 2138.38; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 30.93 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 93.97 cm3; (15)Molar Volume: 334.2 cm3; (16)Polarizability: 37.25×10-24cm3; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 0.949 g/cm3; (19)Flash Point: 219.9 °C; (20)Enthalpy of Vaporization: 80.46 kJ/mol; (21)Boiling Point: 440 °C at 760 mmHg; (22)Vapour Pressure: 1.37E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCN(CCOCCCCCCCCCCCC)CCO
(2)InChI: InChI=1/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-17-22-18-14-19(12-15-20)13-16-21/h20-21H,2-18H2,1H3
(3)InChIKey: HBHLHEJVEMYNOX-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-17-22-18-14-19(12-15-20)13-16-21/h20-21H,2-18H2,1H3
(5)Std. InChIKey: HBHLHEJVEMYNOX-UHFFFAOYSA-N