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| CAS No.: | 6290-05-7 |
|---|---|
| Name: | Diethyl iminodiacetate |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C8H15NO4 |
| Molecular Weight: | 189.211 |
| Synonyms: | Aceticacid, iminodi-, diethyl ester (6CI,7CI,8CI);66: PN: US20050107325 PAGE: 155claimed protein;Diethyl iminobis(acetate);Diethyl iminodiacetate;Iminodiacetic acid diethyl ester;N,N-Bis(ethoxycarbonylmethyl)amine;N-(Ethoxycarbonylmethyl)glycine ethyl ester;NSC 6950;[[(Ethoxycarbonyl)methyl]amino]acetic acid ethyl ester; |
| EINECS: | 228-533-6 |
| Density: | 1.072 g/cm3 |
| Melting Point: | 208 °C(lit.) |
| Boiling Point: | 248.5 °C at 760 mmHg |
| Flash Point: | 104.1 °C |
| Solubility: | Moderately soluble in water. |
| Appearance: | clear colorless to slightly yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| Transport Information: | 200kgs |
| PSA: | 64.63000 |
| LogP: | 0.09310 |
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Specification
The Glycine,N-(2-ethoxy-2-oxoethyl)-, ethyl ester, with the CAS registry number 6290-05-7 and EINECS registry number 228-533-6, has the systematic name of diethyl 2,2'-iminodiacetate. It belongs to the following product categories: C8 to C9; Carbonyl Compounds; Esters. And the molecular formula of the chemical is C8H15NO4.
The characteristics of Glycine,N-(2-ethoxy-2-oxoethyl)-, ethyl ester are as followings: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.32; (5)ACD/BCF (pH 5.5): 4.72; (6)ACD/BCF (pH 7.4): 5.94; (7)ACD/KOC (pH 5.5): 98.96; (8)ACD/KOC (pH 7.4): 124.48; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 46.25 cm3; (15)Molar Volume: 176.3 cm3; (16)Polarizability: 18.33×10-24cm3; (17)Surface Tension: 34.6 dyne/cm; (18)Density: 1.072 g/cm3; (19)Flash Point: 104.1 °C; (20)Enthalpy of Vaporization: 48.57 kJ/mol; (21)Boiling Point: 248.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0241 mmHg at 25°C.
Preparation of Glycine,N-(2-ethoxy-2-oxoethyl)-, ethyl ester: This chemical can be prepared by azanediyl-bis-acetic acid and ethanol. The reaction will need reagent H2SO4. The reaction time is 4 hours with heating, and the yield is about 67%.
Uses of Glycine,N-(2-ethoxy-2-oxoethyl)-, ethyl ester: It can react with N-(2-bromo-ethoxy)-phthalimide to produce {[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yloxy)-ethyl]-ethoxycarbonylmethyl-amino}-acetic acid ethyl ester. This reaction will need reagent xylene. The reaction time is 16 hours with heating, and the yield is about 56.3%.
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You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC)CNCC(=O)OCC
(2)InChI: InChI=1/C8H15NO4/c1-3-12-7(10)5-9-6-8(11)13-4-2/h9H,3-6H2,1-2H3
(3)InChIKey: LJDNMOCAQVXVKY-UHFFFAOYAS