Iminodiacetic acid

C₄H₇NO₄CAS 142-73-4133.10 g/mol

Open in Covalent MOL file

Carboxylic acid Secondary amine

Properties

Molecular formula: C₄H₇NO₄
Molar mass: 133.10 g/mol
Exact mass: 133.0375 Da
Melting point: 247.5 °C
Boiling point: 126–127 °C (at 13.5 Torr)
logP: -1.25Crippen estimate
Polar surface area: 86.6 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation56.9% of notifiers
H319 Causes serious eye irritation58% of notifiers
H335 May cause respiratory irritation56.6% of notifiers
H412 Harmful to aquatic life with long lasting effects22.3% of notifiers

Aggregated from 274 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

142-73-4

SMILES

O=C(O)CNCC(=O)O

InChIKey

NBZBKCUXIYYUSX-UHFFFAOYSA-N

InChI

InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)

Weigh it out

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

Names and synonyms

19 names · show all

Glycine, N-(carboxymethyl)-
Acetic acid, iminodi-
N-(Carboxymethyl)glycine
Aminodiacetic acid
Diglycine
IDA
Iminobis(acetic acid)
Iminodiethanoic acid
Acetic acid, 2,2′-iminobis-
Diglycin
Diglycocoll
IDA (chelating agent)
α-Iminodiacetic acid
IMDA
((Carboxymethyl)amino)acetic acid
NSC 18467
2,2′-Azanediyldiacetic acid
2-[(Carboxymethyl)amino]acetic acid
2-(Carboxymethylamino)acetic acid

Work with Iminodiacetic 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.

Disodium iminodiacetate928-72-3Salt Sodium iminodiacetate dibasic monohydrate17593-73-6Salt

Similar compounds

Ethylenediaminediacetic acid5657-17-078 % similar N-(2-Aminoethyl)glycine24123-14-661 % similar Sarcosine107-97-157 % similar Glyphosate1071-83-656 % similar N-(2-Cyanoethyl)glycine3088-42-454 % similar Hydantoic acid462-60-252 % similar N-(Phenylmethyl)glycine17136-36-652 % similar Succinic acid110-15-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

D-Aspartic acid1783-96-6 Polyaspartic acid25608-40-6 Aspartic acid56-84-8 (+-)-Aspartic acid617-45-8 Ethyl nitroacetate626-35-7 L-Aspartic acid6899-03-2

Elsewhere

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