p-SCN-Bn-NOTA

cas: 147597-66-8 — see every product listed under this CAS number, including other names

p-SCN-Bn-NOTA (CAS 147597-66-8) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRG-A261917
cas147597-66-8
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Structural formula: {0} (CAS {1})

2-[(8Z)-1,7-bis(carboxymethyl)-2-[(4-isothiocyanatophenyl)methyl]-2,3,5,6-tetrahydro-1,4,7-triazonin-4-yl]acetic acid (CAS 147597-66-8) is a chemical compound with the molecular formula C20H24N4O6S and a molecular weight of 448.5 g/mol. IUPAC name: 2-[(8Z)-1,7-bis(carboxymethyl)-2-[(4-isothiocyanatophenyl)methyl]-2,3,5,6-tetrahydro-1,4,7-triazonin-4-yl]acetic acid. InChIKey: JDNCFHZWJCDPHS-FPLPWBNLSA-N.

Identity
Molecular formulaC20H24N4O6S
Molecular weight448.5 g/mol
IUPAC name2-[(8Z)-1,7-bis(carboxymethyl)-2-[(4-isothiocyanatophenyl)methyl]-2,3,5,6-tetrahydro-1,4,7-triazonin-4-yl]acetic acid
InChIKeyJDNCFHZWJCDPHS-FPLPWBNLSA-N
SMILESC1CN(/C=C\N(C(CN1CC(=O)O)CC2=CC=C(C=C2)N=C=S)CC(=O)O)CC(=O)O

Computed by PubChem (NCBI)

Synonyms: 2-(4-Ncs-Bz)-nota, 2-(4-Isothiocyanatobenzyl)-1,4,7-triazacyclononane-1,4,7-triacetic acid

Also listed as

(p-SCN-Bn)-NOTA 95% Ambeed CAS 147597-66-8
2,2',2''-(2-(4-Isothiocyanatobenzyl)-1,4,7-triazonane-1,4,7-triyl)triacetic acid, 95%, 95% Chemat CAS 147597-66-8