CAS No.: 26239-55-4 — N-(2-Acetamido)iminodiacetic acid (N-(2-乙酰胺基)-2-亚氨基二乙酸)

1. Primary Information

English name:	N-(2-Acetamido)iminodiacetic acid
CAS No.:	26239-55-4
Molecular formula:	C₆H₁₀N₂O₅
Molecular weight:	190.15 g/mol
SMILES:	C(C(=O)N)N(CC(=O)O)CC(=O)O
Structural class:
Other identifiers:	N-(2-acetamido)iminodiacetic acid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25g	高纯，99%	19	RT	in stock	-
Kehua Intelligence	100g	高纯，99%	51	RT	in stock	-
Kehua Intelligence	500g	高纯，99%	224	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 22 0 0 0 0 0 0 0999 V2000 2.9537 1.3527 -1.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2992 -3.2739 -0.8238 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8331 1.6843 1.1546 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3647 1.2701 1.1888 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0186 -2.6048 1.3293 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0021 0.0099 0.0051 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1731 1.5405 -0.7059 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3905 -0.0664 -0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6279 1.2363 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7472 -1.1630 -0.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1288 1.1354 0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0498 1.2734 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -2.3944 0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4585 -0.0945 -1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9168 -0.9402 -0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1681 2.1611 -0.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6188 1.2796 -1.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7836 -1.1838 -0.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7729 -1.2327 -1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7493 2.3350 -0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4106 1.0682 -1.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8745 1.3934 -0.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7019 -4.0784 -0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 22 1 0 0 0 0 2 13 1 0 0 0 0 2 23 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]acetic acid

4.2 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)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)