Diethyl iminodiacetate

C₈H₁₅NO₄CAS 6290-05-7189.21 g/mol

Open in Covalent MOL file

Ester Secondary amine

Properties

Molecular formula: C₈H₁₅NO₄
Molar mass: 189.21 g/mol
Exact mass: 189.1001 Da
Density: 1.0819 g/mL (at 18.5 °C)
Boiling point: 126–127 °C (at 13 Torr)
logP: -0.30Crippen estimate
Polar surface area: 64.6 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 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

6290-05-7

SMILES

CCOC(=O)CNCC(=O)OCC

InChIKey

LJDNMOCAQVXVKY-UHFFFAOYSA-N

InChI

InChI=1S/C8H15NO4/c1-3-12-7(10)5-9-6-8(11)13-4-2/h9H,3-6H2,1-2H3

Weigh it out

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

Names and synonyms

10 names

Glycine, N-(2-ethoxy-2-oxoethyl)-, ethyl ester
Acetic acid, iminodi-, diethyl ester
Iminodiacetic acid diethyl ester
N,N-Bis(ethoxycarbonylmethyl)amine
N-(Ethoxycarbonylmethyl)glycine ethyl ester
Diethyl iminobis(acetate)
NSC 6950
[[(Ethoxycarbonyl)methyl]amino]acetic acid ethyl ester
66: PN: US20050107325 PAGE: 155 claimed protein
Iminodiethyl diacetate

Work with Diethyl iminodiacetate

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

Similar compounds

Diethyl malonate105-53-361 % similar Diethyl succinate123-25-161 % similar Sarcosine ethyl ester hydrochloride52605-49-961 % similar N-Benzylglycine ethyl ester6436-90-459 % similar Ethyl hydrazineacetate monohydrochloride6945-92-259 % similar Ethyl propionate105-37-358 % similar Diethyl glutarate818-38-258 % similar Diethyl adipate141-28-656 % similar

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

Same formula

[(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-6 tert-Butoxycarbonylalanine15761-38-3 N-(Methoxycarbonyl)-3-methyl-L-valine162537-11-3 Dl-alpha-aminosuberic acid19641-59-9 4-tert-Butyl hydrogen L-aspartate3057-74-7 Boc-glycine methyl ester31954-27-5 Boc-β-alanine3303-84-2 Boc-dl-alanine3744-87-4

Elsewhere

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