1-BENZYL-PYRROLIDINE-3-CARBONITRILE
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1-BENZYL-PYRROLIDINE-3-CARBONITRILE
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CAS No:
10603-52-8
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Formula:
C12H14N2
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Chemical Name:
1-BENZYL-PYRROLIDINE-3-CARBONITRILE
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Synonyms:
1-benzylpyrrolidine-3-carbonitrile;1-Benzyl-pyrrolidine-3-carbonitrile;1-benzyl-3-cyano-pyrrolidine;1-Benzyl-3-cyanopyrrolidine;3-pyrrolidinecarbonitrile, 1-(phenylmethyl)-;PubChem16537;(R)-1-BENZYL-PYRROLIDINE-3-CARBONITRILE;ACMC-2098ic;ACMC-209dg3;SCHEMBL607250
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CAS No:
Characteristics
27
1.6
1.08±0.1 g/cm3(Predicted)
120 °C(Press: 0.4 Torr)
132.8±15.2 °C
1.573
Room temperature.
0.0005mmHg at 25°C
Safety Information
Ⅲ
IRRITANT
UN 2811 6.1 / PGIII
36
26
Xi
P301 + P310-P305 + P351 + P338
H301-H319
|Danger|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, P310, 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.
Computed Properties
Molecular Weight:186.25
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:186.115698455
Monoisotopic Mass:186.115698455
Topological Polar Surface Area:27
Heavy Atom Count:14
Complexity:222
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
1-BENZYL-PYRROLIDINE-3-CARBONITRILE
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