Hydroxyethylethylenediaminetriacetic acid

C₁₀H₁₈N₂O₇CAS 150-39-0278.26 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₀H₁₈N₂O₇
Molar mass: 278.26 g/mol
Exact mass: 278.1114 Da
Density: 1.285 g/mL
Melting point: 159 °C
Flash point: 100 °C (closed cup)
Water solubility: 480 g/L (20 °C)
logP: -2.16Crippen estimate
Polar surface area: 138.6 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 11

Hazards

Danger

H302 Harmful if swallowed30.3% of notifiers
H315 Causes skin irritation61.2% of notifiers
H318 Causes serious eye damage77.6% of notifiers
H319 Causes serious eye irritation22.1% of notifiers
H400 Very toxic to aquatic life47.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects47.3% of notifiers

Aggregated from 938 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

150-39-0

SMILES

O=C(O)CN(CCO)CCN(CC(=O)O)CC(=O)O

InChIKey

URDCARMUOSMFFI-UHFFFAOYSA-N

InChI

InChI=1S/C10H18N2O7/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19)

Weigh it out

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

Names and synonyms

21 names · show all

Glycine, N-[2-[bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)-
Hamp-OL
Dissolvine H
NSC 7341
Chelest HA
2-[2-[Bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid
Glycine, N-(carboxymethyl)-N′-(2-hydroxyethyl)-N,N′-ethylenedi-
N-[2-[Bis(carboxymethyl)amino]ethyl]-N-(2-hydroxyethyl)glycine
Chel DM acid
HEDTA
HEEDTA
N-(2-Hydroxyethyl)ethylenediaminetriacetic acid
N′-(2-Hydroxyethyl)ethylenediamine-N,N,N′-triacetic acid
(Hydroxyethyl)ethylenediaminetriacetic acid
Hydroxyethylethylenediaminotriacetic acid
N-(Hydroxyethyl)ethylenediaminetriacetic acid
N-(Hydroxyethyl)ethylenediamine-N,N′,N′-triacetic acid
N-(2-Hydroxyethyl)ethylenediamine-N,N′,N′-triacetic acid
(2-Hydroxyethyl)ethylenediaminetriacetic acid
Oxyethylethylenediaminetriacetic acid
Detarol

Work with Hydroxyethylethylenediaminetriacetic 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 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.

Trisodium HEDTA139-89-9Salt

Similar compounds

[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-acetic acid124335-65-592 % similar Bicine150-25-491 % similar (2-Hydroxyethyl)iminodiacetic acid93-62-991 % similar Pentetic acid67-43-678 % similar Triethylenetetraminehexaacetic acid869-52-378 % similar Ethylenediaminetetraacetic acid60-00-474 % similar Dota (chelator)60239-18-174 % similar Diammonium EDTA20824-56-065 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Piperazine citrate144-29-6 Di-L(+)-ornithine-α-oxoglutarate5144-42-3 Ornithine α-ketoglutarate (1:1)5191-97-9

Elsewhere

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