Ammonium citrate

C₆H₁₁NO₇CAS 7632-50-0209.15 g/mol

Open in Covalent MOL file

Alcohol Carboxylic 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 Å²
H-bond donors / acceptors: 5 / 5
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed38.8% of notifiers
H315 Causes skin irritation89.8% of notifiers
H319 Causes serious eye irritation89.8% of notifiers
H400 Very toxic to aquatic life38.8% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, P501

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

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.

2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)5949-29-1Hydrate Citric acid77-92-9Free acid 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 Piperazine citrate144-29-6Salt Triammonium citrate3458-72-8Salt Aluminium citrate31142-56-0Salt Clostilbegit50-41-9Salt

Similar compounds

1-Hydroxy-1-cyclopropanecarboxylic acid17994-25-152 % similar (R)-(-)-Citramalic acid6236-10-850 % similar 2,2-Dimethylsuccinic acid597-43-348 % similar 2,2-Difluorobutanedioic acid665-31-648 % similar 1-Hydroxy-cyclobutanecarboxylic acid41248-13-948 % similar Diammonium succinate2226-88-244 % similar Hydroxycitric acid6205-14-742 % similar 3-Hydroxy-3-methylglutaric acid503-49-142 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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