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Reference substances

Reference substances

Currently viewing:
IUPAC name:
disodium dihydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate

Inventory

EC number:
205-358-3
EC name:
Disodium dihydrogen ethylenediaminetetraacetate
CAS number:
139-33-3
CAS number:
139-33-3
Synonyms
Names:
Acetic acid, (ethylenedinitrilo)tetra-, disodium salt
Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, disodium salt
Identifier:
CAS number
6381-92-6
Identifier:
IUPAC name
disodium 2-[carboxymethyl-[2-[carboxymethyl-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate
Identifier:
IUPAC name
disodium dihydrogen 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate dihydrate
Identifier:
common name
Acetic acid, (ethylenedinitrilo)tetra-, disodium dihydrate
Identifier:
common name
Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, disodium salt dihydrate
Identifier:
other: SMILES notation
C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)O.[Na+].[Na+]
Identifier:
other: Molecular formula
C10H14N2O8.2Na
Identifier:
other: Molecular formula
C10H14N2O8.2Na.2H20
Identifier:
other: Molecular formula
C10H16N2O8.2Na
Identifier:
other: InChl
InChI=1/C10H16N2O8.2Na.2H2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,( H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H/q;4*+1/p-4
Identifier:
other: InChl
InChI=1/C10H16N2O8.2Na.2H2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H/q;4*+1/p-4
Identifier:
other: InChl
InChI=1S/C10H16N2O8.2Na.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H2/q;2*+1;;/p-4 AuxInfo=1/1/N:14,15,8,10,17,21,6,11,18,22,9,16,5,7,12,13,19,20,23,24;3;4;1;2/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14,15,16,17,18,19,20);;;;/gE:(1,2,3,4);;;;/rA:24OONa+Na+O-COCNCCO-OCCNCCO-OCCO-O/rB:;;;;s5;d6;s6;s8;s9;s10;s11;d11;s9;s14;s15;s16;s17;s18;d18;s16;s21;s22;d22;/rC:;4.4,0,0;2.2362,-11.1953,0;-6.2714,-6.7105,0;.7566,-11.6224,0;-.723,-12.0495,0;-1.0929,-13.5444,0;-1.8327,-10.9817,0;-1.4628,-9.4868,0;-2.5725,-8.419,0;-4.052,-8.8461,0;-5.1617,-7.7783,0;-4.4219,-10.341,0;.0168,-9.0597,0;.3867,-7.5648,0;1.8663,-7.1376,0;2.2362,-5.6427,0;1.1265,-4.5749,0;-.3531,-5.002,0;1.4964,-3.08,0;2.976,-8.2054,0;4.4556,-7.7783,0;4.8255,-6.2834,0;5.5653,-8.8461,0;
Identifier:
other: SMILES notation
[H+].[H+].[Na+].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O
Identifier:
other: SMILES notation
[OH2].[OH2].[Na+].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O

Molecular and structural information

Molecular formula:
C10H14N2Na2O8
Molecular weight:
336.2
SMILES notation:
H+].[H+].[Na+].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O
InChl:
1/C10H16N2O8.2Na.2H2/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H/q;4*+1/p-4
Structural formula:
Chemical structure

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