α-(Dimethylamino)benzeneacetonitrile
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α-(Dimethylamino)benzeneacetonitrile
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CAS No:
827-36-1
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Formula:
C10H12N2
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Chemical Name:
α-(Dimethylamino)benzeneacetonitrile
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Synonyms:
Benzeneacetonitrile,α-(dimethylamino)-;Acetonitrile,(dimethylamino)phenyl-;Glycinonitrile,N,N-dimethyl-2-phenyl-;α-(Dimethylamino)benzeneacetonitrile;α-(Dimethylamino)phenylacetonitrile;NSC 37416;2-(N,N-Dimethylamino)-2-phenylacetonitrile;2-(Dimethylamino)-2-phenylacetonitrile;6027-39-0
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CAS No:
Characteristics
27.03000
1.81288
0.997 g/mL at 25ºC(lit.)
120 °C @ Press: 16 Torr
219 °F
n20/D 1.5145(lit.)
Safety Information
III
6.1
UN3276
3
R36/37/38
26-36
AL9625000
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 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:160.22
XLogP3:1.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:160.100048391
Monoisotopic Mass:160.100048391
Topological Polar Surface Area:27
Heavy Atom Count:12
Complexity:172
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
α-(Dimethylamino)benzeneacetonitrile
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