β-Oxo-1-piperidinepropanenitrile
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β-Oxo-1-piperidinepropanenitrile
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CAS No:
15029-30-8
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Formula:
C8H12N2O
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Chemical Name:
β-Oxo-1-piperidinepropanenitrile
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Synonyms:
1-Piperidinepropanenitrile,β-oxo-;Piperidine,1-(cyanoacetyl)-;1-Piperidinepropionitrile,β-oxo-;β-Oxo-1-piperidinepropanenitrile;Cyanoacetopiperidide;1-(Cyanoacetyl)piperidine;Piperidinocarbonylacetonitrile;Cyanoacetic acid piperidide;NSC 102772;3-Oxo-3-(piperidin-1-yl)propanenitrile;3-Oxo-3-piperidin-1-yl-propionitrile
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CAS No:
β-Oxo-1-piperidinepropanenitrile Basic Attributes
152.19
152.19
239-111-6
102772
DTXSID80164513
29333999
Characteristics
44.1
0.5
orange needle-like crystalline powder
1.0996 (rough estimate)
88-89 °C
274.67°C (rough estimate)
150.9±23.2 °C
1.4940 (estimate)
0.000223mmHg at 25°C
Safety Information
III
6.1
UN 3439 6.1/PG 3
3
20/21/22-36/37
26-27-36/37/39
Xn,Xi
Harmful/Irritant
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P322, P330, P337+P313, P363, P403+P233, P405, P501
H302
|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, P322, P330, P337+P313, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:152.19
XLogP3:0.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:152.094963011
Monoisotopic Mass:152.094963011
Topological Polar Surface Area:44.1
Heavy Atom Count:11
Complexity:186
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
β-Oxo-1-piperidinepropanenitrile
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