Tożsamość

Nicotine

CAS 54-11-5 · C10H14N2

01Tożsamość

Lazychem IDLC-23377
CAS RN54-11-5
PubChem CID89594
Molecular formulaC10H14N2
Molecular weight162.23 g/mol
IUPAC name3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
InChIKeySNICXCGAKADSCV-JTQLQIEISA-N

02Struktura i stereochemia

2D structurePubChem CID 89594
Two-dimensional chemical structure of Nicotine, CAS 54-11-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count2
Secondary amines0
Tertiary amines1
SMILESCN1CCC[C@H]1C2=CN=CC=C2
InChINie podano

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Status w Indiach

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nazwy i powiązania

API i lek macierzysty

Nie podano

Nazwy i powiązania

  • nicotine
  • L-Nicotine
  • 54-11-5
  • (S)-Nicotine
  • (S)-3-(1-methylpyrrolidin-2-yl)pyridine
  • Habitrol
  • Nicotrol
  • 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
  • Nicoderm
  • Nicoderm Cq
  • Fumetobac
  • Nicocide

Zanieczyszczenia i związki pokrewne

    06Źródła