(S)-1-BOC-3-Cyanopyrrolidine
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(S)-1-BOC-3-Cyanopyrrolidine
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CAS No:
132945-78-9
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Formula:
C10H16N2O2
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Chemical Name:
(S)-1-BOC-3-Cyanopyrrolidine
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Synonyms:
(S)-1-N-(tert-Butoxycarbonyl)-3-cyanopyrrolidine;(S)-1-N-BOC-3-CYANO-PYRROLIDINE;(S)-3-CYANO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;(S)-1-BOC-3-Cyanopyrrolidine;(S)-TERT-BUTYL-3-CYANOPYRROLIDINE-1-CARBOXYLATE;N-T-BOC-3(S)-CYANOPYRROLIDINE;tert-butyl (3S)-3-cyanopyrrolidine-1-carboxylate;(S)-N-Boc-3-cyanopyrrolidine
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CAS No:
Characteristics
53.33000
1.70488
1.08±0.1 g/cm3
307.9±35.0 °C(Predicted)
140ºC
1.488
0.000703mmHg at 25°C
-3.73±0.40
Safety Information
3
36/37/38
26-36
Xn
|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 39 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
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
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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