1,1-Dimethylethyl 2-cyano-1-pyrrolidinecarboxylate
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1,1-Dimethylethyl 2-cyano-1-pyrrolidinecarboxylate
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CAS No:
144688-70-0
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Formula:
C10H16N2O2
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Chemical Name:
1,1-Dimethylethyl 2-cyano-1-pyrrolidinecarboxylate
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Synonyms:
1-Pyrrolidinecarboxylic acid,2-cyano-,1,1-dimethylethyl ester;1,1-Dimethylethyl 2-cyano-1-pyrrolidinecarboxylate;tert-Butyl 2-cyanopyrrolidine-1-carboxylate
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CAS No:
1,1-Dimethylethyl 2-cyano-1-pyrrolidinecarboxylate Basic Attributes
196.24600
196.25
DTXSID70373536
2933990090
Characteristics
53.33000
1.84738
1.08g/cm3
33-36ºC(lit.)
307.9ºC at 760 mmHg
140ºC
1.488
0.000703mmHg at 25°C
Safety Information
3
R22
S26
Xn
|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|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:196.25
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:196.121177757
Monoisotopic Mass:196.121177757
Topological Polar Surface Area:53.3
Heavy Atom Count:14
Complexity:272
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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