Butyl N-[2,5-Bis(Aziridin-1-Yl)-4-(Butoxycarbonylamino)-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl]Carbamate
[CAS# 125671-99-0]

Identification

• Name: Butyl N-[2,5-Bis(Aziridin-1-Yl)-4-(Butoxycarbonylamino)-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl]Carbamate
• Synonyms: N-[2,5-Bis(1-Aziridinyl)-4-[(Butoxy-Oxomethyl)Amino]-3,6-Dioxo-1-Cyclohexa-1,4-Dienyl]Carbamic Acid Butyl Ester; N-[4-(Butoxycarbonylamino)-2,5-Diethylenimino-3,6-Diketo-1-Cyclohexa-1,4-Dienyl]Carbamic Acid Butyl Ester; (2,5-Bis(1-Aziridinyl)-3,6-Dioxo-1,4-Cyclohexadiene-1,4-Diyl)Biscarbamic Acid, Dibutyl Ester
• Molecular Formula: C₂₀H₂₈N₄O₆
• Molecular Weight: 420.46
• CAS Registry Number: 125671-99-0
• SMILES: C(OC(=O)NC3=C(N1CC1)C(=O)C(=C(N2CC2)C3=O)NC(OCCCC)=O)CCC
• InChI: 1S/C20H28N4O6/c1-3-5-11-29-19(27)21-13-15(23-7-8-23)18(26)14(16(17(13)25)24-9-10-24)22-20(28)30-12-6-4-2/h3-12H2,1-2H3,(H,21,27)(H,22,28)
• InChIKey: ZCYKGHPSPFTSJQ-UHFFFAOYSA-N

Properties

• Density: 1.336g/cm³ (Cal.)
• Boiling point: 514.201°C at 760 mmHg (Cal.)
• Flash point: 264.779°C (Cal.)