Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Healthy Roots Biotechnology (Shenzhen) Co., Limited    Joint Development

1. Primary Information

English name: 3,6,9,12-Tetraazatetradecanedioic acid, 3,6,9,12-tetrakis(carboxymethyl)-
CAS No.: 869-52-3
Molecular formula: C18H30N4O12
Molecular weight: 494.5 g/mol
SMILES: C(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
Structural class:
Other identifiers:

Dy(TTHA)

dysprosium triethylenetetraamine-N,N',N'',N''',N'''-hexaacetic acid

triethylenetetraminehexaacetic acid

triethylenetetraminehexaacetic acid, calcium, sodium, zinc (1:1:2:1) salt

triethylenetetraminehexaacetic acid, copper complex, tetrahydride

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 1g 高纯,98% 216 RT in stock -
Kehua Intelligence 5g 高纯,98% 640 RT in stock -
Kehua Intelligence 25g 高纯,98% 2400 RT in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

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


4.2 InChI

InChI=1S/C18H30N4O12/c23-13(24)7-19(3-5-21(9-15(27)28)10-16(29)30)1-2-20(8-14(25)26)4-6-22(11-17(31)32)12-18(33)34/h1-12H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)


4.3 InChIKey

RAEOEMDZDMCHJA-UHFFFAOYSA-N


4.4 Canonical SMILES

C(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O


4.5 Isomeric SMILES

-

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon
-- No 3D model data available --