Products for Research Use Only
RegisterLogin

TTHA

CAT: 0931-TSH-00118-02Size: 250 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TSH-00118-02Size:250 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
869-52-3
Bioactivity
TTHA is a complex with a high affinity for light rare earth elements (LREE), particularly effective with La3+ in ternary mixtures and Y3+ in quinary mixtures.
Smiles
O=C(CN(CCN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)O
Molecular Formula
C18H30N4O12
Molecular Weight
494.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Triethylenetetraminehexaacetic acid

RN given refers to parent cpd; structure given in first source

CAS Number869-52-3
PubChem CID70088
IUPAC Name2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid
Molecular FormulaC18H30N4O12
Molecular Weight494.5
XLogP-11.2
Topological Polar Surface Area237
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count21
Heavy Atom Count34
Formal Charge0
Complexity640
SMILES
C(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
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)
InChIKey
RAEOEMDZDMCHJA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triethylenetetraminehexaacetic acid
CAS: 869-52-3
CID: 70088
Formula: C18H30N4O12
MW: 494.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.5
XLogP3-11.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count16
Rotatable Bond Count21
Exact Mass494.18602241
Monoisotopic Mass494.18602241
Topological Polar Surface Area237 Ų
Heavy Atom Count34
Formal Charge0
Complexity640
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T212491-01TTHP 512

Alternative Products

CatalogName
GTR19247956-01TTHA
T031-10TTHA, 5 g

Popular Products