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CAS Number: 14227-95-3
3-oxo-3-(pyrrolidin-1-yl)propanenitrile

Structure

 3-oxo-3-(pyrrolidin-1-yl)propanenitrile
Name: 3-oxo-3-(pyrrolidin-1-yl)propanenitrile
Synonyms:
General Information
Product Number: 14227953

CAS Registry Number 14227-95-3
Name:
1-?Pyrrolidinepropaneni?trile, β-?oxo-
Pyrrolidine, 1-(cyanoacetyl)- (7CI,8CI,9CI)
1-(2-Cyanoacetyl)pyrrolidine
1-(Cyanoacetyl)pyrrolidine
3-Oxo-3-(1-pyrrolidinyl)propanenitrile
Cyanoacetic acid pyrrolidide

 

Chemical Formula: C7H10N2O
Exact Mass: 138.08
Molecular Weight: 138.17
m/z: 138.08 (100.0%), 139.08 (8.3%)

 

InChI:InChI=1S/C7H10N2O/c8-4-3-7(10)9-5-1-2-6-9/h1-3,5-6H2

InChI Key:VEUDVNNBYYRZBV-UHFFFAOYSA-N

Canonical SMILES:C1CCN(C1)C(=O)CC#N

 

Thermal Properties Value Condition Note
Melting Point 76-78 °C   (2)CAS
Melting Point 74-75 °C Solv: ethyl acetate (141-78-6) (6)CAS
Melting Point 70-72 °C Solv: ethyl acetate (141-78-6) (4)CAS

Specification

98%
References
  1. (2) Costa, Marta; Organic & Biomolecular Chemistry 2011, V9(11), P4242-4249 CAPLUS
  2. (4) Manikowski, Andrzej; Synthetic Communications 2009, V39(20), P3621-3638 CAPLUS
  3. (6) Osdene, Thomas S.; US 3138592 1964 CAPLUS
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