CAS No.39987-25-2,DIMETHYL IMINODIACETATE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	39987-25-2
Name:	DIMETHYL IMINODIACETATE HYDROCHLORIDE
Article Data:	9

Formula:	C₆H₁₂ClNO₄
Molecular Weight:	197.619
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;
Melting Point:	~170 °C (dec.)
Boiling Point:	210.3 °C at 760 mmHg
Flash Point:	81 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36

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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