[(E)-3-[3-(Acetyloxymethyl)-5-Aziridin-1-Yl-1-Methyl-4,7-Dioxo-Indol-2-Yl]Prop-2-Enyl] Acetate
[CAS# 114560-31-5]

Identification

• Name: [(E)-3-[3-(Acetyloxymethyl)-5-Aziridin-1-Yl-1-Methyl-4,7-Dioxo-Indol-2-Yl]Prop-2-Enyl] Acetate
• Synonyms: [(E)-3-[3-(Acetoxymethyl)-5-(Aziridin-1-Yl)-1-Methyl-4,7-Dioxo-Indol-2-Yl]Prop-2-Enyl] Acetate; Acetic Acid [(E)-3-[3-(Acetoxymethyl)-5-(1-Aziridinyl)-1-Methyl-4,7-Dioxo-2-Indolyl]Prop-2-Enyl] Ester; Acetic Acid [(E)-3-[3-(Acetoxymethyl)-5-Ethylenimino-4,7-Diketo-1-Methyl-Indol-2-Yl]Prop-2-Enyl] Ester
• Molecular Formula: C₁₉H₂₀N₂O₆
• Molecular Weight: 372.38
• CAS Registry Number: 114560-31-5
• SMILES: C(OC(=O)C)C1=C([N](C2=C1C(=O)C(=CC2=O)N3CC3)C)\C=C\COC(=O)C
• InChI: 1S/C19H20N2O6/c1-11(22)26-8-4-5-14-13(10-27-12(2)23)17-18(20(14)3)16(24)9-15(19(17)25)21-6-7-21/h4-5,9H,6-8,10H2,1-3H3/b5-4+
• InChIKey: BXFPCECXYGHUEL-SNAWJCMRSA-N

Properties

• Density: 1.359g/cm³ (Cal.)
• Boiling point: 595.416°C at 760 mmHg (Cal.)
• Flash point: 313.896°C (Cal.)