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Calcium sodium nitrilotriacetate

HCID 43175
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Basic information

CAS
60034-45-9
Standard SMILES
O=C([O-])CN(CC(=O)[O-])CC(=O)[O-].[Ca+2].[Na+]
InChIKey
ATEKMIYHWFLUPG-UHFFFAOYSA-K
Molecular formula
C6H6CaNNaO6
Average molar mass
251.18 g/mol
Monoisotopic mass
250.971872

Names & identifiers

Preferred name
Calcium sodium nitrilotriacetate
IUPAC
calcium;sodium;2-[bis(carboxylatomethyl)amino]acetate

Names & synonyms

Sodium calcium nitrilotriacetatecalcium sodium nitrilotriacetateSodium (nitrilotriacetato)calciate5I4UCO8N1HCalcium sodium nitrilotriacetic acidGLYCINE, N,N-BIS(CARBOXYMETHYL)-, CALCIUM SODIUM SALT (1:1:1)UNII-5I4UCO8N1HDTXSID80208764RefChem:200051DTXCID30131255Sodium (nitrilotriacetato)calciate (7CI)60034-45-9
Show more names
SCHEMBL31195369ATEKMIYHWFLUPG-UHFFFAOYSA-KCalcium sodium 2,2',2''-nitrilotriacetate (1/1/1)Q27893784

Database identifiers

CAS
60034-45-9
PubChem CID
43175
DTXSID
DTXSID80208764
UNII
5I4UCO8N1H

Properties

Computed structural properties

Topological polar surface area
124 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
171

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