chempirical

(±)-Anabasine

C10H14N2CAS 13078-04-1162.24 g/mol

Open in Covalent MOL file
NNH
Secondary amine

Properties

Molecular formula
C10H14N2
Molar mass
162.24 g/mol
Exact mass
162.1157 Da
Density
1.0455 g/mL (at 20 °C)
Melting point
92–95 °C (decomposes)
Boiling point
104–105 °C (at 2 Torr)
logP
1.90Crippen estimate
Polar surface area
24.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 73 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
13078-04-1
SMILES
c1cncc(C2CCCCN2)c1
InChIKey
MTXSIJUGVMTTMU-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2

Weigh it out

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

Names and synonyms

13 names · show all
  • Pyridine, 3-(2-piperidinyl)-
  • Anabasine, (±)-
  • Pyridine, 3-(2-piperidinyl)-, (±)-
  • Piperidine, 2-(3-pyridyl)-
  • 3-(2-Piperidinyl)pyridine
  • DL-Anabasine
  • 2-(3-Pyridyl)piperidine
  • 3-(2-Piperidyl)pyridine
  • 1,2,3,4,5,6-Hexahydro-[2,3′]bipyridinyl
  • 3-(Piperidin-2-yl)pyridine
  • 2-(Pyridin-3-yl)piperidine
  • rac-Anabasine
  • (+-)-Anabasine

Work with (±)-Anabasine

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.

Anabasine494-52-0Defined stereoisomer

Similar compounds

(±)-Nornicotine5746-86-190 % similar 2-Phenylpiperidine3466-80-663 % similar 4-(Pyrrolidin-2-yl)pyridine128562-25-456 % similar 2-Phenylpyrrolidine1006-64-055 % similar (R,S)-Anatabine2743-90-051 % similar 2-(3-Fluorophenyl)pyrrolidine298690-72-946 % similar 2-(3-Chlorophenyl)pyrrolidine298690-74-146 % similar (R)-2-(3-Fluorophenyl)pyrrolidine920274-03-946 % similar

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

Same formula

DL-Nicotine22083-74-5 1-Methyl-1,2,3,4-tetrahydroquinolin-7-amine304690-94-6 2-Phenylpiperazine5271-26-1 (-)-Nicotine54-11-5 1,2,3,4,5,6-Hexahydro-[4,4′]bipyridinyl581-45-3 Phenylpiperazine92-54-6

Elsewhere

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