1-N-Boc-3-Cyanopyrrolidine
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1-N-Boc-3-Cyanopyrrolidine
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CAS No:
476493-40-0
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Formula:
C10H16N2O2
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Chemical Name:
1-N-Boc-3-Cyanopyrrolidine
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Synonyms:
TERT-BUTYL 3-CYANOPYRROLIDINE-1-CARBOXYLATE;3-CYANO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;1-N-BOC-3-CYANO-PYRROLIDINE;1-Boc-3-cyanopyrrolidine;N-Boc-3-cyanopyrrolidine;N-1-BOC-3-CYANOPYRROLIDINE;1,1-Dimethylethyl 3-cyano-1-pyrrolidinecarboxylate;1-Pyrrolidinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester
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CAS No:
Characteristics
53.33000
1.70488
1.08±0.1 g/cm3
-108ºC
307.9±35.0 °C(Predicted)
140ºC
1.488
5.38 (vs air)
-3.73±0.40
Safety Information
III
6.1
3439
20/21/22-36/37/38
26-36/37/39
|Danger|H301+H311+H331 (12.5%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:196.25
XLogP3:1
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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