4-Hydroxy-1-(phenylmethyl)-4-piperidinecarbonitrile
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4-Hydroxy-1-(phenylmethyl)-4-piperidinecarbonitrile
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CAS No:
6094-60-6
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Formula:
C13H16N2O
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Chemical Name:
4-Hydroxy-1-(phenylmethyl)-4-piperidinecarbonitrile
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Synonyms:
4-Piperidinecarbonitrile,4-hydroxy-1-(phenylmethyl)-;Isonipecotonitrile,1-benzyl-4-hydroxy-;4-Hydroxy-1-(phenylmethyl)-4-piperidinecarbonitrile;1-Benzyl-4-hydroxypiperidine-4-carbonitrile;1-Benzyl-4-hydroxypiperidin-4-carbonitrile;1-Benzyl-4-cyano-4-hydroxypiperidine
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CAS No:
4-Hydroxy-1-(phenylmethyl)-4-piperidinecarbonitrile Basic Attributes
216.28
216.28
476287
228-043-2
DTXSID10209764
29333999
Characteristics
47.3
1.47498
Yellow to beige Crystalline Powder and Chunks
1.17g/cm3
102 °C
399.5ºC at 760 mmHg
195.4ºC
1.592
Safety Information
III
6.1
3276
3
20/21/22-36/37/38
26-36
Xn
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 (95.45%): 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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:216.28
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:216.126263138
Monoisotopic Mass:216.126263138
Topological Polar Surface Area:47.3
Heavy Atom Count:16
Complexity:267
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
4-Hydroxy-1-(phenylmethyl)-4-piperidinecarbonitrile
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