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