(1-BOC-piperidin-4-yl)acetonitrile
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(1-BOC-piperidin-4-yl)acetonitrile
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CAS No:
256411-39-9
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Formula:
C12H20N2O2
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Chemical Name:
(1-BOC-piperidin-4-yl)acetonitrile
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Synonyms:
(1-BOC-piperidin-4-yl)acetonitrile;1-BOC-4-cyanomethylpiperidine;Tert-Butyl 4-(cyanomethyl)piperidine-1-carboxylate;1-Boc-3-CyanoMethylpiperidine;4-CyanoMethyl-piperidine-1-carboxylicacidtert-butylester
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CAS No:
Safety Information
IRRITANT
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(1-BOC-piperidin-4-yl)acetonitrile Use and Manufacturing
NaCN (4.00 g, 80.0 mmol) and H4-(cyanomethyl)piperidine-1-carboxylate (5.0 g, 22.3 mmol) was dissolved in 20 mL of dichloromethane, and 20 mL of trifluoroacetic acid was slowly added at 0 C. It was then stirred at room temperature for 2 hours. After completion of the reaction, the compound was concentrated under reduced pressure to obtain compound 4-cyanomethylpiperidine trifluoroacetate (5.53 g, yield 100%).
Computed Properties
Molecular Weight:224.30
XLogP3:1.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:224.152477885
Monoisotopic Mass:224.152477885
Topological Polar Surface Area:53.3
Heavy Atom Count:16
Complexity:290
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
(1-BOC-piperidin-4-yl)acetonitrile
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