chempirical

(-)-Nicotine hydrogen (+)-tartrate

C14H20N2O6CAS 65-31-6312.32 g/mol

Open in Covalent MOL file
NNOHOOHOHOOH
AlcoholCarboxylic acidTertiary amine

Properties

Molecular formula
C14H20N2O6
Molar mass
312.32 g/mol
Exact mass
312.1321 Da
Melting point
89 °C
logP
-0.27Crippen estimate
Polar surface area
131.2 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
4
Stereocentres
S, R, Rin SMILES atom order

Hazards

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

Identifiers

CAS number
65-31-6
SMILES
CN1CCC[C@H]1c1cccnc1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIKey
QLDPCHZQQIASHX-LDGFUSNJSA-N
InChI
InChI=1S/C10H14N2.C4H6O6/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;5-1(3(7)8)2(6)4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t10-;1-,2-/m01/s1

Weigh it out

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

Names and synonyms

12 names
  • Pyridine, 3-[(2S)-1-methyl-2-pyrrolidinyl]-, (2R,3R)-2,3-dihydroxybutanedioate (1:2)
  • Nicotine, tartrate (1:2)
  • Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (S)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:2)
  • Nicotine acid tartrate
  • Nicotine bitartrate
  • Nicotine hydrogen tartrate
  • Nicotine tartrate
  • Nicotine hydrogen (+)-tartrate
  • S-(-)-Nicotine hydrogen-(+)-tartrate
  • NSC 97238
  • (-)-Nicotine ditartrate
  • NP002

Work with (-)-Nicotine hydrogen (+)-tartrate

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 (-)-Nicotine54-11-5Free base DL-Nicotine22083-74-5Free base, stereo not defined Potassium bitartrate868-14-4Salt Sodium tartrate868-18-8Salt Potassium sodium tartrate304-59-6Salt Potassium tartrate921-53-9Salt N,N-Dimethylethanolamine bitartrate5988-51-2Salt (-)-Epinephrine (+)-bitartrate51-42-3Salt

Similar compounds

trans-1-Methyl-4-carboxy-5-(3-pyridyl)-2-pyrrolidinone33224-01-047 % similar N-Methyl-L-proline475-11-641 % similar 3-Amino-3-(pyridin-3-yl)propanoic acid62247-21-640 % similar (2R,3S)-3-Phenylisoserine136561-53-038 % similar L-3-Pyridylalanine64090-98-838 % similar (αR)-α-Amino-3-pyridinepropanoic acid70702-47-538 % similar N-Methyl-D-pipecolic acid41447-17-037 % similar (2R,3S)-3-Amino-2-hydroxy-3-phenylpropanoic acid hydrochloride132201-32-236 % similar

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

Same formula

1,1-Dimethylethyl (2R)-2-(((2,5-dioxo-1-pyrrolidinyl)oxy)carbonyl)-1-pyrrolidinecarboxylate102185-34-2 1-O-tert-Butyl 2-O-(2,5-dioxopyrrolidin-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate3392-10-7

Elsewhere

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