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| CAS No.: | 5005-71-0 |
|---|---|
| Name: | 1-(cyclohexylmethyl)piperidine hydrochloride (1:1) |
| Molecular Structure: | |
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| Formula: | C12H23N•ClH |
| Molecular Weight: | 217.82 |
| Boiling Point: | 244.6°C at 760 mmHg |
| Flash Point: | 111.9°C |
| Hazard Symbols: | 3 |
| Safety: | Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and HCl. |
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Chemistry
IUPAC Name: 1-(cyclohexylmethyl)piperidine hydrochloride
Empirical Formula: C12H24ClN
Molecular Weight: 217.7787g/mol
Flash Point: 111.9 °C
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Exact Mass: 217.159727
MonoIsotopic Mass: 217.159727
Topological Polar Surface Area: 3.2
Heavy Atom Count: 14
Formal Charge: 0
Complexity: 132
Enthalpy of Vaporization: 48.16 kJ/mol
Boiling Point: 244.6 °C at 760 mmHg
Vapour Pressure: 0.0302 mmHg at 25°C
Canonical SMILES: C1CCC(CC1)CN2CCCCC2.Cl
InChI: InChI=1S/C12H23N.ClH/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;/h12H,1-11H2;1H
InChIKey: XKKTXVIMQNCZHY-UHFFFAOYSA-N
Structure of Piperidinomethylcyclohexane chlorhydrate salt (CAS NO.5005-71-0):
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Toxicity Data With Reference
| 1. | orl-mus LD50:205 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 167 (1967),273. | ||
| 2. | ipr-mus LD50:65 mg/kg | APFRAD Annales Pharmaceutiques Francaises. 24 (1966),785. | ||
| 3. | ivn-mus LD50:25 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 167 (1967),273. |
Safety Profile
Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and HCl.
Specification
Piperidinomethylcyclohexane chlorhydrate salt , its cas register number is 5005-71-0. It also can be called 1-(Cyclohexylmethyl)piperidine hydrochloride ; Chlorhydrate de piperidinomethylcyclohexane ; Cyclohexane, piperidinomethyl-, hydrochloride ; SD 210-32 ; Piperidine, 1-(cyclohexylmethyl)-, hydrochloride . When Piperidinomethylcyclohexane chlorhydrate salt (CAS NO.5005-71-0) is heated to decomposition, it emits toxic fumes of NOx and HCl.