Diethylenetriaminetetraacetic acid
Basic information
- CAS
13811-41-1- Standard SMILES
O=C(O)CN(CCNCCN(CC(=O)O)CC(=O)O)CC(=O)O- InChIKey
AGMNQPKGRCRYQP-UHFFFAOYSA-N- Molecular formula
- C12H21N3O8
- Average molar mass
- 335.31 g/mol
- Monoisotopic mass
- 335.13286464
Overview
structure given in first source
Names & identifiers
- Preferred name
- Diethylenetriaminetetraacetic acid
- IUPAC
- 2-[2-[2-[bis(carboxymethyl)amino]ethylamino]ethyl-(carboxymethyl)amino]acetic acid
- English name
- diethylenetriaminetetraacetic acid
- Molecular weight
- 0
Names & synonyms
Diethylenetriaminetetraacetic acid13811-41-1DTTARefChem:133507Glycine, N,N'-(iminodi-2,1-ethanediyl)bis(N-(carboxymethyl))2,2',2'',2'''-((Azanediylbis(ethane-2,1-diyl))bis(azanetriyl))tetraacetic acidAGMNQPKGRCRYQP-UHFFFAOYSA-NGadobutrol Impurity 192SCHEMBL8244141DTXSID00929984Gadobenate Dimeglumine impurity 10Glycine, N,N'-(iminodi-2,1-ethanediyl)bis(N-(carboxymethyl)-
Show more names
Gadobutrol Impurity 158
2,2',2'',2'''-[Azanediylbis(ethane-2,1-diylnitrilo)]tetraacetic acid2,2',2'',2'''-{Azanediylbis[(ethane-2,1-diyl)nitrilo]}tetraacetic acid
Database identifiers
- CAS
13811-41-1- PubChem CID
- 166909
- DTXSID
DTXSID00929984- Nikkaji
- J792.521B
Properties
Computed structural properties
- XLogP
- -8.6
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 14
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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