Piperidine, 1-(3-chloropropyl)-, hydrochloride (1:1)
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Piperidine, 1-(3-chloropropyl)-, hydrochloride (1:1)
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CAS No:
5472-49-1
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Formula:
C8H16ClN.ClH
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Chemical Name:
Piperidine, 1-(3-chloropropyl)-, hydrochloride (1:1)
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Synonyms:
Piperidine,1-(3-chloropropyl)-,hydrochloride (1:1);Piperidine,1-(3-chloropropyl)-,hydrochloride;3-Piperidinopropyl chloride hydrochloride;1-(3-Chloropropyl)piperidine hydrochloride;N-(3-Chloropropyl)piperidine hydrochloride;3-(1-Piperidinyl)propyl chloride hydrochloride;1-Chloro-3-piperidinopropane hydrochloride;1-(3-Chloropropyl)piperidine monohydrochloride;1931118-03-4
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CAS No:
Piperidine, 1-(3-chloropropyl)-, hydrochloride (1:1) Basic Attributes
198.13
197.073807
226-812-7
28334
DTXSID70203187
2933399090
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36
TM6498600
Xi:Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Piperidine, 1-(3-chloropropyl)-, hydrochloride (1:1) Use and Manufacturing
Reference Example 10 1.72 g (20.3 mmol) of piperidine, 2 ml (24.3 mmol) of 3-chloropropanol and 10 ml toluene were added successively into a reaction flask. The mixture was heated to the reflux temperature and reacted for 4 h. Into the reaction mixture, 5percent NaOH 4 ml was added, and the mixture was refluxed for 1 h. After cooling to room temperature, the mixture was washed with 5percent NaOH solution. The organic layer was washed with a saturated saline solution, then dried over anhydrous sodium sulfate and filtrated. 3 ml (40.6 mmol) thionyl chloride was added dropwise into the filtrate in an ice-bath, and the mixture was stirred at room temperature overnight. The reaction solution was concentrated to dry in a reduced pressure, and the residue was recrystallized with absolute ethyl alcohol to obtain 2.4 g of a khaki solid with the yield of 59percent. m.p. 218-220° C.
Computed Properties
Molecular Weight:198.13
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:197.0738049
Monoisotopic Mass:197.0738049
Topological Polar Surface Area:3.2
Heavy Atom Count:11
Complexity:79.3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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