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NOTA

CAT: 0931-T40648-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T40648-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
56491-86-2
Target
Others
Related Pathways
Others
Purity
0.9804
Bioactivity
NOTA is a multifunctional chelator capable of forming stable complexes with metal ions and is commonly used in radiopharmaceuticals, molecular imaging and targeted nuclear therapy.
Smiles
O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1
Molecular Formula
C12H21N3O6
Molecular Weight
303.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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