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1604-01-9

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Basic Information
CAS No.: 1604-01-9
Name: gamma-coniceine
Article Data: 2
Molecular Structure:
Molecular Structure of 1604-01-9 (gamma-coniceine)
Formula: C8H15 N
Molecular Weight: 125.214
Synonyms: 2-Propyl-1,4,5,6-tetrahydropyridine;Coniceine; g-Conicein; g-Coniceine
Density: 0.91g/cm3
Boiling Point: 171°Cat760mmHg
Flash Point: 48.5°C
Safety: Poison by ingestion, subcutaneous, and intravenous routes. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx.
PSA: 12.36000
LogP: 1.84700
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Chemistry

Molecular Structure of gamma-Conicein (CAS NO. 1604-01-9):

IUPAC Name: 6-Propyl-2,3,4,5-tetrahydropyridine 
Molecular Formula: C8H15N
Molecular Weight: 125.211400 g/mol
XLogP3-AA: 1.2
H-Bond Donor: 0
H-Bond Acceptor: 1
Canonical SMILES: CCCC1=NCCCC1
InChI: InChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h2-7H2,1H3
InChIKey: PQSOVRNZJIENNW-UHFFFAOYSA-N
Index of Refraction: 1.494
Molar Refractivity: 39.73 cm3
Molar Volume: 136.3 cm3
Surface Tension: 30.5 dyne/cm
Density: 0.91 g/cm3
Flash Point: 48.5 °C
Enthalpy of Vaporization: 39.07 kJ/mol
Boiling Point: 171 °C at 760 mmHg
Vapour Pressure: 1.9 mmHg at 25 °C
BRN of gamma-Conicein (CAS NO. 1604-01-9): 0106092

Toxicity Data With Reference

1.    

orl-mus LD50:12 mg/kg

     JPPMAB    Journal of Pharmacy and Pharmacology. 15 (1963),1.
2.    

scu-mus LD50:12 mg/kg

     JPPMAB    Journal of Pharmacy and Pharmacology. 15 (1963),1.
3.    

ivn-mus LD50:2600 µg/kg

     JPPMAB    Journal of Pharmacy and Pharmacology. 15 (1963),1.

Safety Profile

Poison by ingestion, subcutaneous, and intravenous routes. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx.

Specification

  gamma-Conicein with cas registry number of 1604-01-9 is also called for 2,3,4,5-Tetrahydro-6-propylpyridine ; 5-20-04-00345 (Beilstein Handbook Reference) ; gamma-Coniceine ; Pyridine, 2,3,4,5-tetrahydro-6-propyl- .