Product Name

  • Name

    (+)-Anabasinehydrochloride

  • EINECS
  • CAS No. 53912-89-3
  • Article Data3
  • CAS DataBase
  • Density 1.014g/cm3
  • Solubility Soluble to 100 mM in water
  • Melting Point 220-222 °C
  • Formula C10H14 N2 . Cl H
  • Boiling Point 271°Cat760mmHg
  • Molecular Weight 198.695
  • Flash Point 93.3°C
  • Transport Information
  • Appearance White to off-white solid.
  • Safety Poison by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and HCl.
  • Risk Codes 11-23/24/25-39/23/24/25
  • Molecular Structure Molecular Structure of 53912-89-3 ((+)-Anabasinehydrochloride)
  • Hazard Symbols F,T
  • Synonyms Pyridine,3-(2-piperidinyl)-, monohydrochloride, (S)-; Pyridine, 3-(2S)-2-piperidinyl-,monohydrochloride (9CI); (S)-Anabasine hydrochloride; Anabasinemonohydrochloride
  • PSA 24.92000
  • LogP 3.02700

(S)-3-(2-Piperidinyl)pyridine hydrochloride Chemical Properties

Molecular Formula: C10H15ClN2
Molar mass: 198.6925 g/mol
Flash Point: 93.3 °C
Boiling Point: 271 °C at 760 mmHg
Vapour Pressure: 0.00662 mmHg at 25°C
Product categories of (S)-3-(2-Piperidinyl)pyridine hydrochloride (CAS NO.53912-89-3): Acetylcholine receptor
Structure of (S)-3-(2-Piperidinyl)pyridine hydrochloride (CAS NO.53912-89-3):
          
H-Bond Donor: 2
H-Bond Acceptor: 2
IUPAC Name of (S)-3-(2-Piperidinyl)pyridine hydrochloride (CAS NO.53912-89-3): 3-[(2S)-piperidin-2-yl]pyridine hydrochloride
Canonical SMILES: C1CCNC(C1)C2=CN=CC=C2.Cl
Isomeric SMILES: C1CCN[C@@H](C1)C2=CN=CC=C2.Cl
InChI: InChI=1S/C10H14N2.ClH/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;/h3-4,6,8,10,12H,1-2,5,7H2;1H/t10-;/m0./s1 
InChIKey: VTMZQNZVYCJLGG-PPHPATTJSA-N

(S)-3-(2-Piperidinyl)pyridine hydrochloride Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 24200ug/kg (24.2mg/kg)   Drugs of the Future. Vol. 14, Pg. 407, 1989.
mouse LD50 intravenous 5180ug/kg (5.18mg/kg)   Drugs of the Future. Vol. 14, Pg. 407, 1989.
mouse LD50 oral 34100ug/kg (34.1mg/kg)   Drugs of the Future. Vol. 14, Pg. 407, 1989.
mouse LD50 subcutaneous 23mg/kg (23mg/kg)   Drugs of the Future. Vol. 14, Pg. 407, 1989.
mouse LD50 unreported 39mg/kg (39mg/kg)   Pharmaceutical Chemistry Journal Vol. 11, Pg. 30, 1977.
rabbit LD50 oral 247mg/kg (247mg/kg)   Drugs of the Future. Vol. 14, Pg. 407, 1989.
rat LD50 intraperitoneal 39500ug/kg (39.5mg/kg)   Drugs of the Future. Vol. 14, Pg. 407, 1989.
rat LD50 oral 235mg/kg (235mg/kg)   Drugs of the Future. Vol. 14, Pg. 407, 1989.

(S)-3-(2-Piperidinyl)pyridine hydrochloride Safety Profile

Poison by ingestion and intraperitoneal routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and HCl.

(S)-3-(2-Piperidinyl)pyridine hydrochloride Specification

 (S)-3-(2-Piperidinyl)pyridine hydrochloride ,its cas register number is 53912-89-3. It also can be called Anabasine monohydrochloride ; Anabasin hydrochloride ; Anabaside hydrochloride ; alpha-Piperidyl-beta-pyridine hydrochloride and Anabasin chloride .

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