N,N-Dimethylethanolamine bitartrate

C8H17NO7CAS 5988-51-2239.22 g/mol

Open in Covalent MOL file
NOHOHOOHOHOOH
AlcoholCarboxylic acidTertiary amine

Properties

Molecular formula
C8H17NO7
Molar mass
239.22 g/mol
Exact mass
239.1005 Da
logP
-2.58Crippen estimate
Polar surface area
138.5 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
5
Stereocentres
R, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
5988-51-2
SMILES
CN(C)CCO.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIKey
UIEGYKVRCKDVKQ-LREBCSMRSA-N
InChI
InChI=1S/C4H11NO.C4H6O6/c1-5(2)3-4-6;5-1(3(7)8)2(6)4(9)10/h6H,3-4H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1

Weigh it out

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

Names and synonyms

10 names
  • Ethanol, 2-(dimethylamino)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)
  • Ethanol, 2-(dimethylamino)-, tartrate (1:1)
  • Ethanol, 2-(dimethylamino)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1) (salt)
  • Ethanol, 2-(dimethylamino)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1) (salt)
  • Dimethylaminoethanol bitartrate
  • N,N-Dimethylethanolamine-tartaric acid salt
  • 2-Dimethylaminoethanol tartrate
  • 2-Dimethylaminoethanol bitartrate
  • Deanol bitartrate
  • Liparon

Work with N,N-Dimethylethanolamine bitartrate

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.

Tartaric acid87-69-4Free acid D-Tartaric acid147-71-7Free acid, enantiomer DL-Tartaric acid133-37-9Free acid, enantiomer 2,3-Dihydroxybutanedioic acid526-83-0Free acid, stereo not defined 2-(Dimethylamino)ethanol108-01-0Free base Potassium bitartrate868-14-4Salt Sodium tartrate868-18-8Salt Potassium sodium tartrate304-59-6Salt Potassium tartrate921-53-9Salt (-)-Epinephrine (+)-bitartrate51-42-3Salt Choline bitartrate87-67-2Salt (-)-Norepinephrine (+)-bitartrate51-40-1Salt

Similar compounds

Mucic acid526-99-850 % similar Saccharic acid87-73-050 % similar Gluconic acid526-95-446 % similar (S)-2-Hydroxy-3-methylbutanoic acid17407-55-544 % similar (+-)-2-Hydroxyisovaleric acid4026-18-044 % similar Guluronic acid15769-56-942 % similar Glucuronic acid6556-12-342 % similar 2-[[2-(Dimethylamino)ethyl]methylamino]ethanol2212-32-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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