3-{(E)-[(5Z)-3-Methoxy-5-(2H-pyrrol-2-ylidene)-1,5-dihydro-2H-pyrrol-2-ylidene]methyl}-1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole
[CAS# 86797-91-3]

Identification

• Name: 3-{(E)-[(5Z)-3-Methoxy-5-(2H-pyrrol-2-ylidene)-1,5-dihydro-2H-pyrrol-2-ylidene]methyl}-1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole
• Synonyms: 2H-Isoindole, 4,5,6,7-tetrahydro-3-((3-methoxy-5-(1H-pyrrol-2-yl)2H-pyrrol-2-ylidene)methyl)-1,4-dimethyl-; 4,5,6,7-Tetrahydro-3-((3-methoxy-5-(1H-pyrrol-2-yl)2H-pyrrol-2-ylidene)methyl)-1,4-dimethyl-2H-isoindole
• Molecular Formula: C₂₀H₂₃N₃O
• Molecular Weight: 321.42
• CAS Registry Number: 86797-91-3
• SMILES: O(C=2/C(N\C(=C1/N=C\C=C1)\C=2)=C\c3c4c(c(n3)C)CCCC4C)C
• InChI: 1S/C20H23N3O/c1-12-6-4-7-14-13(2)22-18(20(12)14)10-17-19(24-3)11-16(23-17)15-8-5-9-21-15/h5,8-12,22-23H,4,6-7H2,1-3H3/b16-15-,17-10+
• InChIKey: OCCNYGGVVVZDTB-HZYVTAJCSA-N

Properties

• Density: 1.244g/cm³ (Cal.)
• Boiling point: 566.696°C at 760 mmHg (Cal.)
• Flash point: 296.527°C (Cal.)