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

C10H20N2O8CAS 41372-10-5296.28 g/mol

Open in Covalent MOL file
NHHNH2OOHOOHOOHOHO
AlcoholCarboxylic acidSecondary 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 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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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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

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.

Arpezine142-63-2Hydrate 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)5949-29-1Hydrate Piperazine citrate144-29-6Anhydrous Citric acid77-92-9Free acid Piperazine110-85-0Free base Trisodium citrate68-04-2Salt Potassium citrate866-84-2Salt Calcium citrate813-94-5Salt Ammonium ferric citrate1185-57-5Salt Disodium citrate144-33-2Salt Monosodium citrate18996-35-5Salt Triammonium citrate3458-72-8Salt

Similar compounds

1-Hydroxy-1-cyclopropanecarboxylic acid17994-25-144 % similar (R)-(-)-Citramalic acid6236-10-843 % similar 2,2-Dimethylsuccinic acid597-43-342 % similar 2,2-Difluorobutanedioic acid665-31-642 % similar 1-Hydroxy-cyclobutanecarboxylic acid41248-13-941 % similar Ethylenediaminediacetic acid5657-17-039 % similar Hydroxycitric acid6205-14-737 % similar 3-Hydroxy-3-methylglutaric acid503-49-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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