4-Ethyl-2,3-dioxopiperazinecarbonyl chloride

C₇H₉ClN₂O₃CAS 59703-00-3204.61 g/mol

Open in Covalent MOL file

Acyl halide Amide Lactam

Properties

Molecular formula: C₇H₉ClN₂O₃
Molar mass: 204.61 g/mol
Exact mass: 204.0302 Da
logP: 0.04Crippen estimate
Polar surface area: 57.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage72.7% of notifiers

Aggregated from 22 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

59703-00-3

SMILES

CCN1CCN(C(=O)Cl)C(=O)C1=O

InChIKey

SXVBQOZRZIUHKU-UHFFFAOYSA-N

InChI

InChI=1S/C7H9ClN2O3/c1-2-9-3-4-10(7(8)13)6(12)5(9)11/h2-4H2,1H3

Weigh it out

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

Names and synonyms

2 names

4-Ethyl-2,3-dioxo-1-piperazinecarbonyl chloride
1-Piperazinecarbonyl chloride, 4-ethyl-2,3-dioxo-

Work with 4-Ethyl-2,3-dioxopiperazinecarbonyl chloride

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

Diethylcarbamoyl chloride88-10-855 % similar N-Ethyl-N-methylcarbamic chloride42252-34-642 % similar 4-Methyl-1-piperazinecarbonyl chloride39539-66-741 % similar (αR)-α-[[(4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]benzeneacetic acid63422-71-941 % similar 3-Acetyl-1-chlorocarbonyl-2-imidazolidone41730-71-641 % similar 1-Ethyl-2,3-piperazinedione59702-31-741 % similar (R)-(-)-Alpha-(((4-Ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)-4-hydroxybenzeneacetic acid62893-24-740 % similar 4-Methyl-1-piperazinecarbonyl chloride hydrochloride55112-42-038 % similar

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

Same formula

O-(p-Nitrobenzyl)hydroxylamine hydrochloride2086-26-2 2-Methoxy-5-nitroaniline hydrochloride67827-72-9 4-Ethoxy-3-nitropyridine hydrochloride94602-04-7

Elsewhere

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