Ethylenediaminediacetic acid

C₆H₁₂N₂O₄CAS 5657-17-0176.17 g/mol

Open in Covalent MOL file

Carboxylic acid Secondary amine

Properties

Molecular formula: C₆H₁₂N₂O₄
Molar mass: 176.17 g/mol
Exact mass: 176.0797 Da
Melting point: 228 °C (decomposes)
Boiling point: 439 °C
logP: -1.67Crippen estimate
Polar surface area: 98.7 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 7

Hazards

Danger

H302 Harmful if swallowed72.6% of notifiers
H315 Causes skin irritation98.6% of notifiers
H318 Causes serious eye damage71.2% of notifiers
H319 Causes serious eye irritation27.4% of notifiers
H335 May cause respiratory irritation26.7% of notifiers
H411 Toxic to aquatic life with long lasting effects72.6% of notifiers

Aggregated from 146 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

5657-17-0

SMILES

O=C(O)CNCCNCC(=O)O

InChIKey

IFQUWYZCAGRUJN-UHFFFAOYSA-N

InChI

InChI=1S/C6H12N2O4/c9-5(10)3-7-1-2-8-4-6(11)12/h7-8H,1-4H2,(H,9,10)(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all

Glycine, N,N′-1,2-ethanediylbis-
Glycine, N,N′-ethylenedi-
N,N′-1,2-Ethanediylbis[glycine]
N,N′-Ethylenediaminediacetic acid
Ethylenediiminodiacetic acid
EDDA
Acetic acid, 2,2′-(1,2-ethanediyldiimino)bis-
Ethylenediamine-N,N′-diacetic acid
1,2-Bis(carboxymethylamino)ethane
N,N′-Ethylenediglycine
Ethylenediimino-N,N′-diacetic acid
1,2-Ethylenediamine-N,N′-diacetic acid
N,N′-Bis(carboxymethyl)ethylenediamine
2,2′-(Ethane-1,2-diylbis(azanediyl))diacetic acid
2-[2-(Carboxymethylamino)ethylamino]acetic acid

Work with Ethylenediaminediacetic acid

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Iminodiacetic acid142-73-478 % similar N-(2-Aminoethyl)glycine24123-14-670 % similar N-(2-Cyanoethyl)glycine3088-42-462 % similar Piperazine adipate142-88-157 % similar Sarcosine107-97-152 % similar Glyphosate1071-83-652 % similar N-(Phenylmethyl)glycine17136-36-648 % similar Hydantoic acid462-60-248 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N,N'-Dimethoxy-N,N'-dimethyloxamide106675-70-1 N1,N2-Bis(2-hydroxyethyl)ethanediamide1871-89-2 Glycyl-DL-threonine27174-15-8 Dmdnb3964-18-9 1,2-Diethyl 1,2-hydrazinedicarboxylate4114-28-7 Glycyl-threonine7093-70-1

Elsewhere

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