Basic information
- CAS
1798-13-6- Standard SMILES
O=C(O)CN(CCCCN(CC(=O)O)CC(=O)O)CC(=O)O- InChIKey
ZIMXAFGAUMQPMG-UHFFFAOYSA-N- Molecular formula
- C12H20N2O8
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.1219656
Names & identifiers
- Preferred name
- 2,2',2'',2'''-(Butane-1,4-diyldinitrilo)tetraacetic acid
- IUPAC
- 2-[4-[bis(carboxymethyl)amino]butyl-(carboxymethyl)amino]acetic acid
Names & synonyms
1798-13-62,2',2'',2'''-(butane-1,4-diyldinitrilo)tetraacetic acidDTXSID60280745RefChem:241927DTXCID20231899Glycine, N,N'-1,4-butanediylbis[N-(carboxymethyl)-NSC184862-[4-[bis(carboxymethyl)amino]butyl-(carboxymethyl)amino]acetic acidSCHEMBL135042NSC 18486NSC-18486tetramethylenedinitrilotetraacetic acid
Show more names
DS-002046Glycine,n,n-1,4-butanediylbis[n-(carboxymethyl)-3,8-Diazadecanedioic acid, 3,8-bis(carboxymethyl)-
Database identifiers
- CAS
1798-13-6- PubChem CID
- 227166
- DTXSID
DTXSID60280745- Nikkaji
- J654.275A
Properties
Computed structural properties
- XLogP
- -5.2
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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