2-Propyl-3a,4,7,7alpha-Tetrahydroisoindole-1,3-Dione
[CAS# 2021-20-7]

Identification

• Name: 2-Propyl-3a,4,7,7alpha-Tetrahydroisoindole-1,3-Dione
• Synonyms: 2-Propyl-3A,4,7,7A-Tetrahydroisoindole-1,3-Quinone; 4-Cyclohexene-1,2-Dicarboximide, N-Propyl-; Isoindole-1,3(2H)-Dione, 3A,4,7,7A-Tetrahydro-2-Propyl-
• Molecular Formula: C₁₁H₁₅NO₂
• Molecular Weight: 193.25
• CAS Registry Number: 2021-20-7
• SMILES: C(N2C(=O)C1CC=CCC1C2=O)CC
• InChI: 1S/C11H15NO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-4,8-9H,2,5-7H2,1H3
• InChIKey: BAPLXEYNVOWNPO-UHFFFAOYSA-N

Properties

• Density: 1.123g/cm³ (Cal.)
• Boiling point: 328.003°C at 760 mmHg (Cal.)
• Flash point: 145.353°C (Cal.)