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(S)-Anabasine Structure

(S)-Anabasine

Chemical Properties

Melting point 9°C
Boiling point 270-272°C
alpha  D20 -83.1°
Density  1,0455 g/cm3
refractive index  1.5430
Flash point 93°C
storage temp.  2-8°C
solubility  DMSO : 100 mg/mL (616.41 mM)
pka 8.98±0.10(Predicted)
form  Liquid
color  Colorless to light yellow
Merck  14,619
BRN  82637
Major Application pharmaceutical (small molecule)
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/t10-/m0/s1
InChIKey MTXSIJUGVMTTMU-JTQLQIEISA-N
SMILES N1[C@@H](CCCC1)c2cnccc2
CAS DataBase Reference 494-52-0(CAS DataBase Reference)
NIST Chemistry Reference Pyridine, 3-(2-piperidinyl)-, (S)-(494-52-0)
EPA Substance Registry System Anabasine (494-52-0)

Safety Information

Hazard Codes  T
Risk Statements  27/28-51/53-23/24/25
Safety Statements  28-36/37-45-61-36/37/39-28A
RIDADR  3140
WGK Germany  WGK 3
RTECS  BV4375000
HazardClass  6.1
PackingGroup  I
HS Code  29333990
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Repr. 2
Skin Irrit. 2
Hazardous Substances Data 494-52-0(Hazardous Substances Data)
Toxicity LDLo orl-dog: 50 mg/kg JPETAB 48,95,33

MSDS

Usage And Synthesis

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