2-Butyl-3a,4,7,7alpha-Tetrahydroisoindole-1,3-Dione
[CAS# 2021-19-4]

Identification

• Name: 2-Butyl-3a,4,7,7alpha-Tetrahydroisoindole-1,3-Dione
• Synonyms: 2-Butyl-3A,4,7,7A-Tetrahydroisoindole-1,3-Quinone; 1H-Isoindole-1,3(2H)-Dione, 2-Butyl-3A,4,7,7A-Tetrahydro- (9Ci); 1H-Isoindole-1,3(2H)-Dione, N-Butyl-3A,4,7,7A-Tetrahydro-
• Molecular Formula: C₁₂H₁₇NO₂
• Molecular Weight: 207.27
• CAS Registry Number: 2021-19-4
• SMILES: C(N2C(=O)C1CC=CCC1C2=O)CCC
• InChI: 1S/C12H17NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-5,9-10H,2-3,6-8H2,1H3
• InChIKey: HZZBHUQGZJXCEV-UHFFFAOYSA-N

Properties

• Density: 1.099g/cm³ (Cal.)
• Boiling point: 341.497°C at 760 mmHg (Cal.)
• Flash point: 148.773°C (Cal.)