(2,5-Bis(1-Aziridinyl)-3,6-Dioxo-1,4-Cyclohexadiene-1,4-Diyl)Biscarbamic Acid Bis(1-Methylethyl) Ester
[CAS# 127786-82-7]

Identification

• Name: (2,5-Bis(1-Aziridinyl)-3,6-Dioxo-1,4-Cyclohexadiene-1,4-Diyl)Biscarbamic Acid Bis(1-Methylethyl) Ester
• Synonyms: Isopropyl N-[2,5-Bis(Aziridin-1-Yl)-4-(Isopropoxycarbonylamino)-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl]Carbamate; N-[2,5-Bis(1-Aziridinyl)-4-[(Isopropoxy-Oxomethyl)Amino]-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl]Carbamic Acid Isopropyl Ester; N-[2,5-Diethylenimino-4-(Isopropoxycarbonylamino)-3,6-Diketo-1-Cyclohexa-1,4-Dienyl]Carbamic Acid Isopropyl Ester
• Molecular Formula: C₁₈H₂₄N₄O₆
• Molecular Weight: 392.41
• CAS Registry Number: 127786-82-7
• SMILES: CC(OC(NC1=C(C(C(=C(C1=O)N2CC2)NC(=O)OC(C)C)=O)N3CC3)=O)C
• InChI: 1S/C18H24N4O6/c1-9(2)27-17(25)19-11-13(21-5-6-21)16(24)12(20-18(26)28-10(3)4)14(15(11)23)22-7-8-22/h9-10H,5-8H2,1-4H3,(H,19,25)(H,20,26)
• InChIKey: JMAKYLOGWVQGNH-UHFFFAOYSA-N

Properties

• Density: 1.384g/cm³ (Cal.)
• Boiling point: 481.716°C at 760 mmHg (Cal.)
• Flash point: 245.133°C (Cal.)