Piperazine, 2-hydroxy-1,2,3-propanetricarboxylate (3:2), hydrate

C₁₀H₂₀N₂O₈CAS 41372-10-5296.28 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Secondary amine

Properties

Molecular formula: C₁₀H₂₀N₂O₈
Molar mass: 296.28 g/mol
Exact mass: 296.1220 Da
logP: -2.89Crippen estimate
Polar surface area: 187.7 Å²
H-bond donors / acceptors: 6 / 6
Rotatable bonds: 5

Identifiers

CAS number

41372-10-5

SMILES

C1CNCCN1.O.O=C(O)CC(O)(CC(=O)O)C(=O)O

InChIKey

KPSRDGXHDCXKEI-UHFFFAOYSA-N

InChI

InChI=1S/C6H8O7.C4H10N2.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-6-4-3-5-1;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);5-6H,1-4H2;1H2

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

Work with Piperazine, 2-hydroxy-1,2,3-propanetricarboxylate (3:2), hydrate

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

Piperazine citrate144-29-690 % similar 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)5949-29-183 % similar Citric acid77-92-972 % similar Diammonium citrate3012-65-566 % similar Triammonium citrate3458-72-866 % similar Ammonium citrate7632-50-066 % similar Bismuth subcitrate57644-54-960 % similar Monosodium citrate18996-35-554 % similar

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

Elsewhere

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