1,2-Diaminopropane-N,N,N',N'-tetraacetic acid

C₁₁H₁₈N₂O₈CAS 4408-81-5306.27 g/mol

Open in Covalent MOL file

Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₁H₁₈N₂O₈
Molar mass: 306.27 g/mol
Exact mass: 306.1063 Da
Melting point: 236 °C
logP: -1.68Crippen estimate
Polar surface area: 155.7 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 11

Hazards

Warning

H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95% of notifiers

Aggregated from 40 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

4408-81-5

SMILES

CC(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

InChIKey

XNCSCQSQSGDGES-UHFFFAOYSA-N

InChI

InChI=1S/C11H18N2O8/c1-7(13(5-10(18)19)6-11(20)21)2-12(3-8(14)15)4-9(16)17/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21)

Weigh it out

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

Names and synonyms

20 names · show all

1,2-Diaminopropane-N,N,N′,N′-tetraacetic acid
Glycine, N,N′-(1-methyl-1,2-ethanediyl)bis[N-(carboxymethyl)-
Acetic acid, (propylenedinitrilo)tetra-
N,N′-(1-Methyl-1,2-ethanediyl)bis[N-(carboxymethyl)glycine]
1,2-Diaminopropanetetraacetic acid
1,2-Propylenediaminetetraacetic acid
1,2-Propylenediamine-N,N,N′,N′-tetraacetic acid
Trilon FS
(±)-1,2-Diaminopropanetetraacetic acid
DL-Propylenediaminetetraacetic acid
1,2-Diaminopropanetetraacetate
Dissolvine P
Methyl-EDTA
Dissolvine PDZ
Propylene-1,2-diaminetetraacetic acid
1,2-Propanediaminetetraacetic acid
MeEDTA
2,2′,2′′,2′′′-(1,2-Propanediyldinitrilo)tetraacetic acid
Propylenediamine-N,N,N′,N′-tetraacetic acid
2-[2-[Bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid

Work with 1,2-Diaminopropane-N,N,N',N'-tetraacetic 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.

N,N'-[(1S)-1-Methyl-1,2-ethanediyl]bis[N-(carboxymethyl)glycine]15250-41-6Defined stereoisomer

Similar compounds

1,3-Diamino-2-hydroxypropane-N,N′,N′′,N′′′-tetraacetic acid3148-72-955 % similar Nitrilotriacetic acid139-13-952 % similar Dexrazoxane24584-09-651 % similar Ethylenediaminetetraacetic acid60-00-448 % similar Dota (chelator)60239-18-148 % similar Cardioxane149003-01-048 % similar Pentetic acid67-43-647 % similar Triethylenetetraminehexaacetic acid869-52-347 % similar

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

Same formula

PDTA1939-36-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook