chempirical

Ammonium citrate

C6H11NO7CAS 7632-50-0209.15 g/mol

Open in Covalent MOL file
NH3OHOHOOOHOHO
AlcoholCarboxylic acid

Properties

Molecular formula
C6H11NO7
Molar mass
209.15 g/mol
Exact mass
209.0536 Da
logP
-1.09Crippen estimate
Polar surface area
167.1 Ų
H-bond donors / acceptors
5 / 5
Rotatable bonds
5

Identifiers

CAS number
7632-50-0
SMILES
N.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIKey
BWKOZPVPARTQIV-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O7.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3

Weigh it out

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

Names and synonyms

3 names
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ammonium salt (1:?)
  • Citric acid, ammonium salt
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ammonium salt

Work with Ammonium citrate

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

Diammonium citrate3012-65-5100 % similar Triammonium citrate3458-72-8100 % similar Citric acid77-92-988 % similar 2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)5949-29-178 % similar Piperazine citrate144-29-672 % similar Bismuth subcitrate57644-54-970 % similar Piperazine, 2-hydroxy-1,2,3-propanetricarboxylate (3:2), hydrate41372-10-566 % similar Monosodium citrate18996-35-562 % similar

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

Elsewhere

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