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NOTA

CAT: 0013-GTR19188943-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188943-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NOTA is a versatile chelator that forms exceptionally stable complexes with various metal ions. It is extensively employed in radiopharmaceutical research for developing diagnostic and therapeutic agents, facilitating both in vivo molecular imaging and targeted radionuclide therapy.
CAS Number
56491-86-2
Product Name Alternative
NOTA
Purity
98.04% (May vary between batches)
Solubility
H2O:110 mg/mL (362.67 mM)
Smiles
O=C (O) CN1CCN (CC (=O) O) CCN (CC (=O) O) CC1
Molecular Formula
C12H21N3O6
Molecular Weight
303.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,4,7-triazacyclononane-N,N',N''-triacetic acid

structure given in first source

CAS Number56491-86-2
PubChem CID124326
IUPAC Name2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
Molecular FormulaC12H21N3O6
Molecular Weight303.31
XLogP-7.9
Topological Polar Surface Area122
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity320
SMILES
C1CN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O
InChI
InChI=1S/C12H21N3O6/c16-10(17)7-13-1-2-14(8-11(18)19)5-6-15(4-3-13)9-12(20)21/h1-9H2,(H,16,17)(H,18,19)(H,20,21)
InChIKey
JHALWMSZGCVVEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4,7-triazacyclononane-N,N',N''-triacetic acid
CAS: 56491-86-2
CID: 124326
Formula: C12H21N3O6
MW: 303.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.31
XLogP3-7.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass303.14303540
Monoisotopic Mass303.14303540
Topological Polar Surface Area122 Ų
Heavy Atom Count21
Formal Charge0
Complexity320
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

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