CAS No.26239-55-4,N-(2-Acetamido)iminodiacetic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	26239-55-4
Name:	N-(2-Acetamido)iminodiacetic acid
Article Data:	9

Formula:	C₆H₁₀N₂O₅
Molecular Weight:	190.156
Synonyms:	Aceticacid, [(carbamoylmethyl)imino]di- (8CI);ADA (buffering agent);N-(2-Acetamido)-2-iminodiacetic acid;N-(Carbamoylmethyl)iminodiacetic acid;N-(2-Acetamido)iminodiacetic acid;
EINECS:	247-530-0
Density:	1.522 g/cm³
Melting Point:	219 °C (dec.)(lit.)
Boiling Point:	524.9 °C at 760 mmHg
Flash Point:	271.3 °C
Solubility:	soluble in water
Appearance:	white to almost white powder
Safety:	24/25
PSA:	120.93000
LogP:	-1.35680

Synthetic route

: 22241-07-2
nitrilotriacetic acid trimethyl ester

: 26239-55-4
N-(2-acetamido)-3-iminodiacetic acid

Conditions

Conditions	Yield
With ammonia In tetrahydrofuran at 60℃; under 7500.75 Torr; for 8h; Solvent;	82%

: 181523-90-0
(N->B)phenyl[N-carbamoylmethyl-aminodiacetate-O,O',N]borane

: 26239-55-4
N-(2-acetamido)-3-iminodiacetic acid

Conditions

Conditions	Yield
In methanol; water refluxing (2 h); solvent removal (vac.), crystn. (acetone);	31%

: carbamoylmethylimino-di-acetic acid dimethyl ester

: 26239-55-4
N-(2-acetamido)-3-iminodiacetic acid

: 139-13-9
nitrilotriacetic acid

: 26239-55-4
N-(2-acetamido)-3-iminodiacetic acid

Conditions

Conditions	Yield
With acetamide; sulfuric acid

: copper(II) choride dihydrate

: 26239-55-4
N-(2-acetamido)-3-iminodiacetic acid

: 71-00-1
D,L-histidine

: Na2[Cu(N-(2-acetamido)iminodiacetato)(histidine)(OH)]*2.5H2O

Conditions

Conditions	Yield
With NaOH In ethanol; water EtOH soln. contg. metal salt added to aq. EtOH soln. contg. N-(2-acetamido)iminodiacetic acid at pH 6 (drops of aq. NaOH), aq. EtOH soln. contg.histidine at pH 9 (drops of aq. NaOH) added slowly, stirred for 4 h; ppt. filtered off, washed (EtOH), dried (vac., P4O10); elem. anal.;	90%

...Expand

: manganese(II) chloride tetrahydrate

: 26239-55-4
N-(2-acetamido)-3-iminodiacetic acid

: 71-00-1
D,L-histidine

: 330589-00-9
Na[Mn(N-(2-acetamido)iminodiacetato)(histidine)(H2O)]

Conditions

Conditions	Yield
With NaOH In ethanol; water EtOH soln. contg. metal salt added to aq. EtOH soln. contg. N-(2-acetamido)iminodiacetic acid at pH 6 (drops of aq. NaOH), aq. EtOH soln. contg.histidine at pH 9 (drops of aq. NaOH) added slowly, stirred for 4 h; ppt. filtered off, washed (EtOH), dried (vac., P4O10); elem. anal.;	90%

...Expand

: cobalt(II) chloride hexahydrate

: 26239-55-4
N-(2-acetamido)-3-iminodiacetic acid

: 71-00-1
D,L-histidine

: Na2[Co(N-(2-acetamido)iminodiacetato)(histidine)(OH)]*0.75H2O

Conditions

Conditions	Yield
With NaOH In ethanol; water EtOH soln. contg. metal salt added to aq. EtOH soln. contg. N-(2-acetamido)iminodiacetic acid at pH 6 (drops of aq. NaOH), aq. EtOH soln. contg.histidine at pH 9 (drops of aq. NaOH) added slowly, stirred for 4 h; ppt. filtered off, washed (EtOH), dried (vac., P4O10); elem. anal.;	90%

...Expand

: 288-32-4
1H-imidazole

: malachite

: 26239-55-4
N-(2-acetamido)-3-iminodiacetic acid

: 204118-63-8, 258855-39-9
(imidazole)(N-carbamoylmethyliminodiacetato)copper(II)

Conditions

Conditions	Yield
In water byproducts: CO2, CuO; reduced pressure; stirring; filtering, crystn. on slow evapn. (room temp., 2 weeks), filtering, washing (H2O), drying; elem. anal.;	90%

...Expand

: malachite

: 26239-55-4
N-(2-acetamido)-3-iminodiacetic acid

: 514790-11-5
bis(N-carboxymethyl-N-(2-carbamoylmethyl)glycinato)copper(II)

Conditions

Conditions	Yield
In water byproducts: CO2; 0.5 mmol Cu2(CO)3(OH)2 and 1.1 mmol H2ADA, stirring, heating under vac. to remove CO2, addn. of 1 mmol H2ADA in soln., addn. of water, 1 day; coleccting, washing (water), air drying;	85%

: nickel(II) chloride hexahydrate

: 26239-55-4
N-(2-acetamido)-3-iminodiacetic acid

: 71-00-1
D,L-histidine

: Na2[Ni(N-(2-acetamido)iminodiacetato)(histidine)(OH)]*0.5H2O

Conditions

Conditions	Yield
With NaOH In ethanol; water EtOH soln. contg. metal salt added to aq. EtOH soln. contg. N-(2-acetamido)iminodiacetic acid at pH 6 (drops of aq. NaOH), aq. EtOH soln. contg.histidine at pH 9 (drops of aq. NaOH) added slowly, stirred for 4 h; ppt. filtered off, washed (EtOH), dried (vac., P4O10); elem. anal.;	68%

...Expand

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Specification

1.Introduction of N-(2-Acetamido)iminodiacetic acid

The N-(2-acetamide)-iminodiacetic acid, with its CAS NO.26239-55-4, is a kind of white crystalline powder. It has synonyms of Glycine, N-(2-amino-2-oxoethyl)-N-(carboxymethyl)- ; N-Carbamoylmethyliminodi(acetic acid) and Carbamoylmethylaminodiacetic acid. N-(2-Acetamido)iminodiacetic acid should be stored in shady and cool warehouse and mainly used as pharmaceutical intermediates.

2.Properties of N-(2-Acetamido)iminodiacetic acid

(1) Molecular Weight 189.14606 [g/mol] (2) Molecular Formula C6H9N2O5- (3) XLogP3-AA -2.6
(4) H-Bond Donor 2 (5) H-Bond Acceptor 5 (6) Rotatable Bond Count 4
(7) Tautomer Count 3 (8) Exact Mass 189.051146 (9) MonoIsotopic Mass 189.051146
(10) Topological Polar Surface Area 128 (11) Heavy Atom Count 13 (12) Formal Charge -1
(13) Complexity 200 (14) Covalently-Bonded Unit Count 1 (15) Feature 3D Acceptor Count 5
(16) Feature 3D Donor Count 2 (17) Feature 3D Anion Count 2 (18) Feature 3D Cation Count 1
(19) Effective Rotor Count 6 (20) Conformer Sampling RMSD 0.6 (21)CID Conformer Count 39

3.Structure descriptors of N-(2-Acetamido)iminodiacetic acid

IUPAC Name: 2-[(2-amino-2-oxoethyl)-(carboxylatomethyl)azaniumyl]acetate

InChI: InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,
11)(H,12,13)/p-1

InChIKey: QZTKDVCDBIDYMD-UHFFFAOYSA-M

Canonical SMILES : C(C(=O)N)[NH+](CC(=O)[O-])CC(=O)[O-]

4.Safety information of N-(2-Acetamido)iminodiacetic acid

Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes
WGK Germany:3