Aminobenzyl-EDTA
2-[[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-(carboxymethyl)amino]acetic acid
Also Known As: Aminobenzyl-edta|2-(2-Quinolyl)malondialdehyde|1-(4-Aminobenzyl)ethylenediamine-N,N,N',N'-tetraacetic acid|Aminobenzyl-EDTA, >=90% (CHN)|J1.818.844I|1-(p-aminobenzyl)ethylenediaminetetraacetic acid|2-[[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-(carboxymethyl)amino]acetic acid|[1-(4-Aminobenzyl)ethylenebisnitrilo]tetraacetic acid|I01-19662|2,2',2'',2'''-{[3-(4-aminophenyl)propane-1,2-diyl]dinitrilo}tetraacetic acid|2-{[1-(4-aminophenyl)-3-[bis(carboxymethyl)amino]propan-2-yl](carboxymethyl)amino}acetic acid|[1-(4-Aminobenzyl)-1,2-ethanediylbisnitrilo]tetraacetic acid|[1-(4-Aminobenzyl)-1,2-ethanediylbisnitrilo]tetrakisacetic acid|N,N -[1-(4-Aminobenzyl)ethylene]bis[N-(carboxymethyl)glycine]|2,2 ,2 ,2 -[1-(4-Aminobenzyl)-1,2-ethanediylbisnitrilo]tetraacetic acid|2,2',2'',2'''-((3-(4-aminophenyl)propane-1,2-diyl)bis(azanetriyl))tetraacetic acid|Glycine, N,N'-(1-((4-aminophenyl)methyl)-1,2-ethanediyl)bis(N-(carboxymethyl)-|1-(4-Aminobenzyl)ethylenediamine-N,N,N inverted exclamation marka,N inverted exclamation marka-tetra-acetic acid|2,2 ,2 ,2 -[3-(4-Aminophenyl)-1,2-propanediylbis(nitrilo)]tetrakisacetic acid|2,2 ,2 ,2 -[3-(4-Aminophenyl)-1,2-propanediylbisnitrilo]tetraacetic acid|2,2 ,2 ,2 -[3-(4-Aminophenyl)-1,2-propanediylbisnitrilo]tetrakisacetic acid|635-500-3
| Molecular Formula | C17H23N3O8 |
|---|---|
| Molecular Weight | 397.14853 g/mol |
| LogP | -4.5 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 397.14853 |
| Monoisotopic Mass | 397.14853 |
| Heavy Atoms | 28 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 9003-80-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)N |
| InChIKey | RPBJIOJIMOUOIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aminobenzyl-EDTA (CAS 9003-80-9), with molecular formula C17H23N3O8 and molecular weight 397.14853 g/mol. IUPAC: 2-[[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-(carboxymethyl)amino]acetic acid.