1,6-Diaminohexane-N,N,N,N-tetraacetic acid
Product Information
Molecular Formula
C14H24N2O8
Molecular Weight
348.35
Description
Applications: 2-({6-[bis(carboxymethyl)amino]hexyl}(carboxymethyl)amino)acetic acid is a useful research chemical.
Synonyms
Hexamethylenedinitrilotetraacetic acid
IUPAC Name
2-[6-[bis(carboxymethyl)amino]hexyl-(carboxymethyl)amino]acetic acid
SMILES
C(CCCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
InChI
InChI=1S/C14H24N2O8/c17-11(18)7-15(8-12(19)20)5-3-1-2-4-6-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChI Key
YGDVXSDNEFDTGV-UHFFFAOYSA-N
Boiling Point
482.73°C (rough estimate)
Melting Point
232-236 °C (dec.)(lit.)
Purity
0.97
Density
1.2294 (rough estimate)
Refractive Index
1.4590 (estimate)
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
XLogP3
-4.5
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
15
Exact Mass
348.15326573 g/mol
Monoisotopic Mass
348.15326573 g/mol
Topological Polar Surface Area
156Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
369
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114160013-A | Paraffin refining and stirring equipment for Paracetamol, caffeine and chlorphenamine maleate sustained-release pellets and preparation process of wax refining and stirring equipment | 2021-11-26 |
| WO-2022023539-A1 | Gallium-labeled gastrin analogue and use in a method of imaging cckb-receptor-positive tumors or cancers | 2020-07-31 |
| WO-2022023541-A1 | Composition comprising a rapalog and a radiolabelled gastrin analogue, in particular for use in the treatment and/or diagnosis of cckb receptor positive cancer or tumors | 2020-07-31 |
| WO-2022010830-A2 | Histamine binding polypeptides and uses thereof | 2020-07-06 |
| WO-2021263013-A1 | Multiplex, sensitive and rapid nucleic acid detection | 2020-06-25 |
| WO-2021242757-A1 | Monocolonal antibodies against pathological tau, and methods using same | 2020-05-26 |
| WO-2021226432-A2 | Methods of detecting and treating lung damage in respiratory-related viral infections | 2020-05-08 |
| WO-2021216728-A1 | Isothermal methods, compositions, kits, and systems for detecting nucleic acids | 2020-04-22 |
| WO-2021202158-A1 | Nested rpa and competitive reference standard | 2020-04-01 |
| WO-2021195023-A2 | Compositions and methods for enhancing detection of rna | 2020-03-23 |
