CAS No.929-59-9,1,8-Diamino-3,6-dioxaoctane Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	929-59-9
Name:	1,8-Diamino-3,6-dioxaoctane
Article Data:	30

Formula:	C₆H₁₆N₂O₂
Molecular Weight:	148.205
Synonyms:	Ethylamine,2,2'-(ethylenedioxy)bis- (6CI,7CI,8CI);1,2-Bis(2-aminoethoxy)ethane;1,8-Diamino-3,6-dioxaoctane;2,2'-(Ethylenedioxy)bis(ethylamine);2,2'-(Ethylenedioxy)diethylamine;2,2'-[1,2-Ethanediylbis(oxy)]bis[ethanamine];2-[2-(2-Aminoethoxy)ethoxy]ethylamine;3,6-Dioxa-1,8-octanediamine;Daitocurar J 5030;EDR 148;Ethylene glycol bis(2-aminoethyl) ether;JeffamineEDR 148;Jeffamine EDR 176;NSC 28972;O,O'-Bis(2-aminoethyl)ethylene glycol;XTJ 504;
EINECS:	213-203-6
Density:	1.015g/cm³
Boiling Point:	241 °C at 760 mmHg
Flash Point:	104.3 °C
Solubility:	Soluble in 0.4 parts water.
Appearance:	CLEAR COLOURLESS LIQUID
Hazard Symbols:	C
Risk Codes:	22-34-42/43
Safety:	23-26-36/37/39-45
Transport Information:	UN 2735
PSA:	70.50000
LogP:	0.33760

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Specification

The 1,8-Diamino-3,6-dioxaoctane, with CAS registry number 929-59-9, has the systematic name of 2,2'-[ethane-1,2-diylbis(oxy)]diethanamine. Its refractive index is 1.46-1.462. And this chemical is a kind of clear colourless liquid. What's more, its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties of 1,8-Diamino-3,6-dioxaoctane: (1)ACD/LogP: -1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.68; (4)ACD/LogD (pH 7.4): -4.25; (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: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 24.94 Å²; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 40.4 cm³; (15)Molar Volume: 147.6 cm³; (16)Polarizability: 16.01×10^-24cm³; (17)Surface Tension: 38.6 dyne/cm; (18)Enthalpy of Vaporization: 47.79 kJ/mol; (19)Vapour Pressure: 0.0369 mmHg at 25°C.

Preparation: this chemical can be prepared by N,N'-(3,6-dioxa-octane-1,8-diyl)-bis-phthalimide. This reaction will need reagents ethanol, hydrazine hydrate.

Uses of 1,8-Diamino-3,6-dioxaoctane: it can be used to produce 1,2-bis-[2-(2-carboxybenzamido)ethane]. This reaction will need solvent CHCl₃. The reaction time is 2 hour(s). The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
The 1,8-Diamino-3,6-dioxaoctane is harmful if swallowed. It may cause burns. And it may cause sensitization by inhalation and skin contact. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. And do not breathe vapour. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O(CCN)CCOCCN
(2)InChI: InChI=1/C6H16N2O2/c7-1-3-9-5-6-10-4-2-8/h1-8H2
(3)InChIKey: IWBOPFCKHIJFMS-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C6H16N2O2/c7-1-3-9-5-6-10-4-2-8/h1-8H2
(5)Std. InChIKey: IWBOPFCKHIJFMS-UHFFFAOYSA-N