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Name |
N-(2-Acetamido)iminodiacetic acid |
EINECS | 247-530-0 |
CAS No. | 26239-55-4 | Density | 1.522 g/cm3 |
PSA | 120.93000 | LogP | -1.35680 |
Solubility | soluble in water | Melting Point |
219 °C (dec.)(lit.) |
Formula | C6H10N2O5 | Boiling Point | 524.9 °C at 760 mmHg |
Molecular Weight | 190.156 | Flash Point | 271.3 °C |
Transport Information | N/A | Appearance | white to almost white powder |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Aceticacid, [(carbamoylmethyl)imino]di- (8CI);ADA (buffering agent);N-(2-Acetamido)-2-iminodiacetic acid;N-(Carbamoylmethyl)iminodiacetic acid;N-(2-Acetamido)iminodiacetic acid; |
Article Data | 9 |
nitrilotriacetic acid trimethyl ester
N-(2-acetamido)-3-iminodiacetic acid
Conditions | Yield |
---|---|
With ammonia In tetrahydrofuran at 60℃; under 7500.75 Torr; for 8h; Solvent; | 82% |
(N->B)phenyl[N-carbamoylmethyl-aminodiacetate-O,O',N]borane
N-(2-acetamido)-3-iminodiacetic acid
Conditions | Yield |
---|---|
In methanol; water refluxing (2 h); solvent removal (vac.), crystn. (acetone); | 31% |
N-(2-acetamido)-3-iminodiacetic acid
nitrilotriacetic acid
N-(2-acetamido)-3-iminodiacetic acid
Conditions | Yield |
---|---|
With acetamide; sulfuric acid |
N-(2-acetamido)-3-iminodiacetic acid
D,L-histidine
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% |
N-(2-acetamido)-3-iminodiacetic acid
D,L-histidine
Na[Mn(N-(2-acetamido)iminodiacetato)(histidine)(H2O)]
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% |
N-(2-acetamido)-3-iminodiacetic acid
D,L-histidine
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% |
1H-imidazole
N-(2-acetamido)-3-iminodiacetic acid
(imidazole)(N-carbamoylmethyliminodiacetato)copper(II)
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% |
N-(2-acetamido)-3-iminodiacetic acid
bis(N-carboxymethyl-N-(2-carbamoylmethyl)glycinato)copper(II)
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% |
N-(2-acetamido)-3-iminodiacetic acid
D,L-histidine
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% |
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