4-AMINO-1-BENZYLPIPERIDINE-4-CARBONITRILE
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4-AMINO-1-BENZYLPIPERIDINE-4-CARBONITRILE
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CAS No:
136624-42-5
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Formula:
C13H17N3
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Chemical Name:
4-AMINO-1-BENZYLPIPERIDINE-4-CARBONITRILE
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Synonyms:
4-amino-1-benzylpiperidine-4-carbonitrile;4-amino-1-benzyl-piperidine-4-carbonitrile;ACMC-20aqh5;SCHEMBL1587072;CTK0G9907;KS-00000NWT;DTXSID20443415;ACT08351;MFCD09042612;ZINC21953475
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CAS No:
4-AMINO-1-BENZYLPIPERIDINE-4-CARBONITRILE Basic Attributes
215.3
215.14200
DTXSID20443415
2933399090
Safety Information
|Warning|H302 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
4-AMINO-1-BENZYLPIPERIDINE-4-CARBONITRILE Use and Manufacturing
STEP A: 4-Amino-1 -benzylpiperidine-4-carbonitrile To a solution of ammonium chloride (17.3 g, 323 mmol) in water (200 mL) was added successively aqueous 25percent ammonia (25 mL, 332 mmol) and 1 -benzylpiperidin-4-one (1 1 .43 g, 60 mmol). The resulting mixture was stirred at room temperature for 20 min and sodium cyanide (14.7 g, 300 mmol) was added in portions over 15 min. After stirring for 1 day, the reaction mixture was partitioned between water (200 mL) and DCM (2 x 200 mL). The organic phase was dried over MgS0STEP A:
Computed Properties
Molecular Weight:215.29
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:215.142247555
Monoisotopic Mass:215.142247555
Topological Polar Surface Area:53
Heavy Atom Count:16
Complexity:264
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
4-AMINO-1-BENZYLPIPERIDINE-4-CARBONITRILE
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