Structure & Deep Data of Anabasine (C10H14N2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Anabasine molecule contains a total of 27 bond(s). There are 13 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 1 secondary amine(s) (aliphatic), and 1 Pyridine(s). Images of the chemical structure of Anabasine are given below:

The 2D chemical structure image of Anabasine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Anabasine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Anabasine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Anabasine. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Anabasine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Anabasine

  The SMILES string of Anabasine is C1CCC(NC1)c2cccnc2, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Anabasine.

• Structure Data File (SDF/MOL File) of Anabasine

  The structure data file (SDF/MOL File) of Anabasine is available for download in the SDF page of Anabasine, which provides the information about the atoms, bonds, connectivity and coordinates of Anabasine. The Anabasine structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Anabasine

  The molecular formula of Anabasine is available in chemical formula page of Anabasine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Anabasine

  The molecular weight of Anabasine is available in molecular weight page of Anabasine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Anabasine

  The Anabasine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Anabasine including the various registry numbers, if available:

  • F2158-0913
  • E48D8A38-D352-4AA3-BCCF-B14E46A0556C
  • I14-23560
  • I14-13963
  • J-005872
  • EN300-95113
  • X6317
  • R1141
  • BBV-36828924
  • SDCCGMLS-0066614.P001

  • CCG-208545
  • BDBM50026461
  • HMS1570E19
  • HMDB04350
  • (.+/-.)-Anabasine
  • DL-(NEONICOTINE)
  • Anabasine, >=97%
  • Anabasine, (+/-)
  • DL-ANABASIN
  • EPA Pesticide Chemical Code 006001

  • Pyridine, 3-(2-pyridyl) piperidine
  • 2-(3-Pyridinyl)piperidine #
  • Caswell No. 051
  • 40774-73-0
  • 2-(3'-Pyridyl) piperidine
  • Pyridine, 3-(2-piperidinyl)-, (S)-
  • PYRIDINE,3-(2-PIPERIDINYL)-
  • MFCD00006370
  • (R,S)-3-(2-Piperidinyl)Pyridine
  • 1,2,3,4,5,6-Hexahydro-[2,3']Bipyridinyl

  • Anabasine hydrochloride
  • (R,S)-ANABASINE
  • Pyridine, 3-(2-piperidinyl)-
  • (+/-) Anabasine
  • 2-(Pyridin-3-yl)piperidine
  • 2-(3-Pyridinyl)piperidine
  • 3-(2-piperidyl)pyridine
  • (+/-)-Anabasine
  • 3-piperidin-2-ylpyridine
  • 2-(3-Pyridyl)piperidine

  • 3-(2-Piperidinyl)pyridine
  • 2-Pyridin-3-ylpiperidine
  • (+-)-Anabasine
  • DL-Anabasine
  • Neonicotine
  • 13078-04-1
  • Anabasine
  • AR-1H7274
  • ANW-75339
  • (+/-)-Anabasine, >=90% (TLC), liquid

  • ZX-AN005943
  • (R,S)-3-(2-Piperidinyl)Pyridine Hydrochloride
  • ALBB-006068
  • HMS2269F13
  • 2-(3-PYRIDYL)PIPERIDINE/(-)-ANABASINE

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Anabasine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Anabasine?
C10H14N2
How many atoms and what are the elements included the Anabasine molecule?
26 atom(s) - 14 Hydrogen atom(s), 10 Carbon atom(s), and 2 Nitrogen atom(s)
How many chemical bonds and what kind of bonds are included the Anabasine structure?
27 bond(s) - 13 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 1 secondary amine(s) (aliphatic), and 1 Pyridine(s)
What’s the Anabasine’s molecular weight?
162.23156 g/mol
What’s the SMILES code of Anabasine?
C1CCC(NC1)c2cccnc2
What’s the InChI string of Anabasine?
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
What’s the InChIKey code of Anabasine?
MTXSIJUGVMTTMU-UHFFFAOYSA-N

18 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).