chempirical

Choline bicarbonate

C6H15NO4CAS 78-73-9165.19 g/mol

Open in Covalent MOL file
N+OHOO−OH
AlcoholQuaternary ammonium

Properties

Molecular formula
C6H15NO4
Molar mass
165.19 g/mol
Exact mass
165.1001 Da
logP
-1.43Crippen estimate
Polar surface area
80.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 179 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
78-73-9
SMILES
C[N+](C)(C)CCO.O=C([O-])O
InChIKey
DQKGOGJIOHUEGK-UHFFFAOYSA-M
InChI
InChI=1S/C5H14NO.CH2O3/c1-6(2,3)4-5-7;2-1(3)4/h7H,4-5H2,1-3H3;(H2,2,3,4)/q+1;/p-1

Weigh it out

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

Names and synonyms

10 names
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, carbonate (1:1)
  • Choline, carbonate (1:1) (salt)
  • Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, carbonate (1:1) (salt)
  • Choline, hydrogen carbonate
  • (2-Hydroxyethyl)trimethylammonium bicarbonate
  • Hydroxyethyltrimethylammonium bicarbonate
  • Trimethyl(2-hydroxyethyl)ammonium bicarbonate
  • Claprotek CF
  • NSC 163321
  • Cholinium bicarbonate

Work with Choline bicarbonate

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.

Choline62-49-7Cation Sodium bicarbonate144-55-8Salt Sodium carbonate497-19-8Salt Potassium carbonate584-08-7Salt Calcium carbonate471-34-1Salt Sodium percarbonate15630-89-4Salt Magnesium carbonate546-93-0Salt Lithium carbonate554-13-2Salt White lead1319-46-6Salt Basic copper carbonate12069-69-1Salt Choline chloride67-48-1Salt Hydrotalcite (mg6(CO3)[al(OH)6]2(OH)4.4H2O)12304-65-3Salt

Similar compounds

(3-Carboxypropyl)trimethylammonium chloride6249-56-535 % similar Trimethylglycine107-43-734 % similar (±)-Carnitine461-06-334 % similar (+)-Carnitine541-14-034 % similar (-)-Carnitine541-15-134 % similar L-Carnitine acid fumarate90471-79-734 % similar (S)-3-Carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium chloride10017-44-432 % similar Carnitine chloride461-05-232 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook