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Cas Database |
| Name |
(S)-3-(2-Piperidinyl)pyridine hydrochloride |
EINECS | N/A |
| CAS No. | 53912-89-3 | Density | 1.014g/cm3 |
| PSA | 24.92000 | LogP | 3.02700 |
| 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 | N/A | 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 |
|
Hazard Symbols | F,T |
| Synonyms |
Pyridine,3-(2-piperidinyl)-, monohydrochloride, (S)-; Pyridine, 3-(2S)-2-piperidinyl-,monohydrochloride (9CI); (S)-Anabasine hydrochloride; Anabasinemonohydrochloride |
Article Data | 3 |
(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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