(2,5-Bis(1-Aziridinyl)-3,6-Dioxo-1,4-Cyclohexadiene-1,4-Diyl)Biscarbamic Acid, Bis(1-Methylpropyl) Ester
[CAS# 127786-83-8]

Identification

• Name: (2,5-Bis(1-Aziridinyl)-3,6-Dioxo-1,4-Cyclohexadiene-1,4-Diyl)Biscarbamic Acid, Bis(1-Methylpropyl) Ester
• Synonyms: Sec-Butyl N-[2,5-Bis(Aziridin-1-Yl)-3,6-Dioxo-4-(Sec-Butoxycarbonylamino)-1-Cyclohexa-1,4-Dienyl]Carbamate; N-[2,5-Bis(1-Aziridinyl)-3,6-Dioxo-4-[(Oxo-Sec-Butoxymethyl)Amino]-1-Cyclohexa-1,4-Dienyl]Carbamic Acid Sec-Butyl Ester; N-[2,5-Diethylenimino-3,6-Diketo-4-(Sec-Butoxycarbonylamino)-1-Cyclohexa-1,4-Dienyl]Carbamic Acid Sec-Butyl Ester
• Molecular Formula: C₂₀H₂₈N₄O₆
• Molecular Weight: 420.46
• CAS Registry Number: 127786-83-8
• SMILES: C(C(OC(=O)NC3=C(N1CC1)C(=O)C(=C(N2CC2)C3=O)NC(OC(CC)C)=O)C)C
• InChI: 1S/C20H28N4O6/c1-5-11(3)29-19(27)21-13-15(23-7-8-23)18(26)14(16(17(13)25)24-9-10-24)22-20(28)30-12(4)6-2/h11-12H,5-10H2,1-4H3,(H,21,27)(H,22,28)
• InChIKey: NDTYNPXZXAMKER-UHFFFAOYSA-N

Properties

• Density: 1.331g/cm³ (Cal.)
• Boiling point: 504.94°C at 760 mmHg (Cal.)
• Flash point: 259.178°C (Cal.)