CAS No.: 150-39-0 — N-(2-Hydroxyethyl)ethylenediaminetriacetic acid (N-羟乙基乙二胺-N，N′,N′-三乙酸)

1. Primary Information

English name:	N-(2-Hydroxyethyl)ethylenediaminetriacetic acid
CAS No.:	150-39-0
Molecular formula:	C₁₀H₁₈N₂O₇
Molecular weight:	278.26 g/mol
SMILES:	C(CN(CC(=O)O)CC(=O)O)N(CCO)CC(=O)O
Structural class:
Other identifiers:	Co-HEDTA cobalt-HEDTA Dy-HEDTA dysprosium-HEDTA HEDTA

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25g	BR，98%	64	RT	in stock	-
Kehua Intelligence	100g	BR，98%	160	RT	in stock	-
Kehua Intelligence	500g	BR，98%	672	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 37 36 0 1 0 0 0 0 0999 V2000 -3.4474 2.3306 -2.5676 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4651 -2.2146 1.1358 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0912 -2.6969 -0.8561 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8340 2.4880 2.3079 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8255 -0.1438 1.8177 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5457 -0.7217 -1.8375 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3843 2.4883 0.0808 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9441 -0.0477 -0.1848 N 0 0 1 0 0 0 0 0 0 0 0 0 1.7674 -0.1882 0.1896 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5494 -0.1203 -0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3699 -0.0976 0.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7899 0.4232 -1.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4070 -1.3529 0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1291 -1.5782 -0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6475 0.3762 1.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6234 1.9210 -1.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6248 -1.1487 1.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3164 -1.5928 -1.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5909 1.8761 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2645 0.7338 -1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3908 -1.0070 -1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1822 0.8509 1.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1425 -0.8870 1.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8534 0.2456 -1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5849 -0.1166 -2.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6796 -1.8638 0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6428 -2.0208 -0.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3413 -2.1296 -0.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 -2.1232 0.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6977 0.1070 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 0.0435 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6004 2.2130 -1.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9348 2.4702 -0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3379 3.2921 -2.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2445 -2.0723 1.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8504 -2.6994 -1.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8111 3.4654 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 34 1 0 0 0 0 2 17 1 0 0 0 0 2 35 1 0 0 0 0 3 18 1 0 0 0 0 3 36 1 0 0 0 0 4 19 1 0 0 0 0 4 37 1 0 0 0 0 5 17 2 0 0 0 0 6 18 2 0 0 0 0 7 19 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 16 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 17 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 19 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid

4.2 InChI

InChI=1S/C10H18N2O7/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19)

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)