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  2. 2-[7-(carboxymethyl)-13-oxo-1,4,7,10-tetrazabicyclo[8.2.1]tridecan-4-yl]acetic acid

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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

2-[7-(carboxymethyl)-13-oxo-1,4,7,10-tetrazabicyclo[8.2.1]tridecan-4-yl]acetic acid

OC(=O)CN1CCN(CCN2C(=O)N(CC1)CC2)CC(=O)O Request for Quotation
Chemical Name: 2-[7-(carboxymethyl)-13-oxo-1,4,7,10-tetrazabicyclo[8.2.1]tridecan-4-yl]acetic acid
CAS Number: 229312-33-8
Product Number: AG00C3BL(AGN-PC-0MW60Q)
Synonyms:
MDL No:
Molecular Formula: C13H22N4O5
Molecular Weight: 314.33758

Identification/Properties

Computed Properties
Molecular Weight:
314.342g/mol
XLogP3:
-6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
4
Exact Mass:
314.159g/mol
Monoisotopic Mass:
314.159g/mol
Topological Polar Surface Area:
105A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
406
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

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid, known for its complex chemical structure, plays a crucial role in chemical synthesis processes. This compound serves as a versatile chelating ligand, exhibiting a high affinity for a variety of metal ions. In organic synthesis, it is employed as a key component in the preparation of coordination complexes for catalytic reactions and asymmetric synthesis. Additionally, its unique structural properties contribute to the stability and selectivity of these complexes, making it a valuable tool in the development of novel chemical transformations and the production of intricate molecular architectures. Furthermore, the use of 13-oxo-1,4,7,10-Tetraazabicyclo[8.2.1]tridecane-4,7-diacetic Acid in chemical synthesis enables researchers to explore new avenues in medicinal chemistry, materials science, and other interdisciplinary fields.