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CAS Number: 4831-43-0
3,3-dimethylpyrrolidin-2-one

Structure

3,3-dimethylpyrrolidin-2-one
Name: 3,3-dimethylpyrrolidin-2-one
Synonyms:
General Information
Product Number: 4831430
CAS Registry Number: 4831-43-0
Name:
        2-​Pyrrolidinone, 3,​3-​dimethyl-
        3,​3-​Dimethyl-​2-​oxopyrrolidine; 3,​3-​Dimethyl-​2-​pyrrolidone; 3,​3-​Dimethylpyrrolidin-​2-​one 
        Deleted CAS Registry Numbers: 31195-​80-​9
 
Chemical Formula: C6H11NO
Exact Mass: 113.08
Molecular Weight: 113.16
m/z: 113.08 (100.0%), 114.09 (6.7%)
Elemental Analysis: C, 63.68; H, 9.80; N, 12.38; O, 14.14
 
InChI: InChI=1S/C6H11NO/c1-6(2)3-4-7-5(6)8/h3-4H2,1-2H3,(H,7,8)
InChIKey: IYZVTTRRGCJXGK-UHFFFAOYSA-N
Canonical SMILES : CC1(CCNC1=O)C
 
Thermal Properties Value Condition Note
Boiling Point 120 °C Press: 12 Torr (1)CAS
Melting Point 65-67 °C   (3)IC

Specification

98%

References
  1. (1) Schuetz, Siegismund; BE 644413 1964 CAPLUS
  2. (2) Medina, Jesus R.; Journal of Organic Chemistry 2008, V73(10), P3946-3949 CAPLUS
  3. (3) Stamm, Helmut; Chemische Berichte 1981, V114(1), P32-48 CAPLUS
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