Sodium iminodiacetate dibasic monohydrate

C₄H₇NNa₂O₅CAS 17593-73-6195.08 g/mol

Open in Covalent MOL file

Carboxylic acid Secondary amine

Properties

Molecular formula: C₄H₇NNa₂O₅
Molar mass: 195.08 g/mol
Exact mass: 195.0120 Da
logP: -10.74Crippen estimate
Polar surface area: 123.8 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation76.8% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation76.8% of notifiers

Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

17593-73-6

SMILES

C(C(=O)[O-])NCC(=O)[O-].O.[Na+].[Na+]

InChIKey

YSBGCHXLMBAKPV-UHFFFAOYSA-L

InChI

InChI=1S/C4H7NO4.2Na.H2O/c6-3(7)1-5-2-4(8)9;;;/h5H,1-2H2,(H,6,7)(H,8,9);;;1H2/q;2*+1;/p-2

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Names and synonyms

1 names

Iminodiacetic acid disodium salt hydrate

Work with Sodium iminodiacetate dibasic monohydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Disodium iminodiacetate928-72-3Anhydrous Iminodiacetic acid142-73-4Free acid

Similar compounds

Sodium (hydroxymethyl)glycinate70161-44-363 % similar Disodium propanedioate hydrate26522-85-063 % similar Sodium succinate hexahydrate6106-21-463 % similar Trisodium nitrilotriacetate monohydrate18662-53-856 % similar Sodium sarcosinate4316-73-856 % similar Tetrasodium ethylenediaminetetraacetate dihydrate10378-23-152 % similar Ethylenediaminetetraacetic acid tetrasodium salt tetrahydrate13235-36-452 % similar Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, tetrasodium salt, trihydrate67401-50-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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