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Iminodiacetic acid dimethyl ester hydrochloride

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Name

Iminodiacetic acid dimethyl ester hydrochloride

EINECS N/A
CAS No. 39987-25-2 Density N/A
PSA N/A LogP N/A
Solubility N/A Melting Point ~170 °C (dec.)
Formula C6H12ClNO4 Boiling Point 210.3 °C at 760 mmHg
Molecular Weight 197.619 Flash Point 81 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 39987-25-2 (DIMETHYL IMINODIACETATE HYDROCHLORIDE) Hazard Symbols IrritantXi
Synonyms

Aceticacid, iminodi-, dimethyl ester, hydrochloride (6CI);Glycine, N-(2-methoxy-2-oxoethyl)-,methyl ester, hydrochloride (9CI);Dimethyl iminodiacetate hydrochloride;Iminodiacetic acid dimethyl ester hydrochloride;Dimethyl iminodiacetic acid hydrochloride;

Article Data 9

Iminodiacetic acid dimethyl ester hydrochloride Specification

The Glycine,N-(2-methoxy-2-oxoethyl)-, methyl ester, hydrochloride (1:1), with the CAS registry number 39987-25-2, is also known as Methyl 2-[(2-methoxy-2-oxoethyl)amino]acetate hydrochloride. It belongs to the product categories of C6 to C7; Carbonyl Compounds; Esters. This chemical's molecular formula is C6H12ClNO4 and molecular weight is 197.62. What's more, its systematic name is dimethyl 2,2'-iminodiacetate hydrochloride. It should be sealed and stored in a cool and dry place.

Physical properties of Glycine,N-(2-methoxy-2-oxoethyl)-, methyl ester, hydrochloride (1:1) are: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.24; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.58; (8)ACD/KOC (pH 7.4): 32.97; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å2; (13)Flash Point: 81 °C; (14)Enthalpy of Vaporization: 44.66 kJ/mol; (15)Boiling Point: 210.3 °C at 760 mmHg; (16)Vapour Pressure: 0.194 mmHg at 25°C.

Preparation: this chemical can be prepared by azanediyl-bis-acetic acid and methanol by heating. This reaction will need reagent SOCl2 with the reaction time of 12 hours. The yield is about 98%.

Glycine,N-(2-methoxy-2-oxoethyl)-, methyl ester, hydrochloride (1:1) can be prepared by azanediyl-bis-acetic acid and methanol

Uses of Glycine,N-(2-methoxy-2-oxoethyl)-, methyl ester, hydrochloride (1:1): it can be used to produce (1H-benzimidazol-2-ylmethylimino)-di-acetic acid by heating. It will need reagent potassium carbonate and solvent ethyl acetate with the reaction time of 3 hours. The yield is about 53%.

2-chloromethyl-1H-benzoimidazole and Glycine,N-(2-methoxy-2-oxoethyl)-, methyl ester, hydrochloride (1:1) can be used to produce (1H-benzimidazol-2-ylmethylimino)-di-acetic acid

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OC)CNCC(=O)OC.Cl
(2)InChI: InChI=1/C6H11NO4.ClH/c1-10-5(8)3-7-4-6(9)11-2;/h7H,3-4H2,1-2H3;1H
(3)InChIKey: IIWYYIACSUPJCN-UHFFFAOYAI

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